3-Methyl-3-buten-1-ol

PubChem CID: 12988

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Compound Synonyms	3-METHYL-3-BUTEN-1-OL, 763-32-6, 3-Methylbut-3-en-1-ol, Isoprenol, 3-Buten-1-ol, 3-methyl-, Isobutenylcarbinol, Methallylcarbinol, 2-Methyl-1-buten-4-ol, 3-Isopentenyl alcohol, Isopropenylethyl alcohol, 3-methyl-3-butenol, Methallyl carbinol, UNII-KJ25C8CPFA, KJ25C8CPFA, isopentenyl alcohol, EINECS 212-110-8, NSC 122673, DTXSID4052506, NSC-122673, Methyl-3-but-3-en-1-ol, 2-methyl-4-hydroxy-1-butene, 3-METHYLENEBUTAN-1-OL, DTXCID8031079, CHEBI:62898, EC 212-110-8, 4-HYDROXY-2-METHYL-1-BUTENE, 3-methyl-but-3-en-1-ol, 3Methyl3butenol, 2Methyl1buten4ol, 3Methylbut3en1ol, 3Methylbuten3ol1, 3Methylenebutan1ol, 3Isopentenyl alcohol, MFCD00002933, 3Buten1ol, 3methyl, 2Methyl4hydroxy1butene, 3-methyl-3-butene-1-ol, 3-methyl-3-butenyl alcohol, Delta(3)-isopentenyl alcohol, 2-methyl-4-hydroxybut-1-ene, 3-Methyl-3-buten-1-ol purum, CHEMBL3561140, 3-Methyl-3-buten-1-ol, 97%, Tox21_303733, BBL027415, LMFA05000107, NSC122673, STL146351, 3-Methyl-3-buten-1-ol, >=97%, AKOS005721136, RP10202, SB83771, NCGC00357042-01, CAS-763-32-6, DB-241114, CS-0204343, M0726, NS00002088, EN300-94630, Q408094
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Np Classifier Class	Acyclic monoterpenoids, Fatty alcohols
Deep Smiles	CC=C)CCO
Heavy Atom Count	6.0
Classyfire Class	Organooxygen compounds
Description	Constituent of ylang-ylang oil. 3-Methyl-3-butenol is found in herbs and spices.
Classyfire Subclass	Alcohols and polyols
Isotope Atom Count	0.0
Molecular Complexity	47.9
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P05412
Iupac Name	3-methylbut-3-en-1-ol
Prediction Hob	1.0
Class	Organooxygen compounds
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	1.3
Superclass	Organic oxygen compounds
Subclass	Alcohols and polyols
Gsk 4 400 Rule	True
Molecular Formula	C5H10O
Prediction Swissadme	0.0
Inchi Key	CPJRRXSHAYUTGL-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.6
Logs	-0.199
Rotatable Bond Count	2.0
Logd	0.93
Synonyms	2-Methyl-1-buten-4-ol, 2-Methyl-4-hydroxy-1-butene, 2-Methyl-4-hydroxybut-1-ene, 3-Isopentenyl alcohol, 3-Methyl-3-buten-1-ol, 3-Methyl-3-butenol, 3-Methylbut-3-en-1-ol, Delta(3)-Isopentenyl alcohol, Isobutenylcarbinol, Isoprenol, Isopropenylethyl alcohol, Methallyl carbinol, Methallylcarbinol, Methyl-3-but-3-en-1-ol, δ(3)-isopentenyl alcohol, Δ(3)-isopentenyl alcohol, 3-methyl-3-buten-1-ol, 3-methyl-but-3-en-1-ol, 3-methylbut-3-en-1-ol
Esol Class	Very soluble
Functional Groups	C=C(C)C, CO
Compound Name	3-Methyl-3-buten-1-ol
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	86.0732
Formal Charge	0.0
Monoisotopic Mass	86.0732
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	86.13
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic acyclic compounds
Lipinski Rule Of 5	True
Esol	-1.0421307999999998
Inchi	InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
Smiles	CC(=C)CCO
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids, Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Primary alcohols
Np Classifier Superclass	Fatty acyls, Monoterpenoids

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201. Outgoing r'ship FOUND_IN to/from Strychnos Ledermannii (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Strychnos Ligustrina (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Strychnos Malaccensis (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Strychnos Minor (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Strychnos Nitida (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Strychnos Panamensis (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Strychnos Potatorum (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Strychnos Spinosa (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Strychnos Splendens (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Strychnos Staudtii (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Strychnos Tabascana (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Strychnos Tricalysioides (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Strychnos Triplinervia (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Strychnos Usambarensis (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Strychnos Vanprukii (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Strychnos Wallichiana (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Vernicia Montana (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Vitis Adnata (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Vitis Amurensis (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Vitis Araneosus (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Vitis Betulifolia (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Vitis Bifurcate (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Vitis Carnosa (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Vitis Coignetiae (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Vitis Heyneana (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Vitis Indica (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Vitis Labrusca (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Vitis Lanata (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Vitis Latifolia (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Vitis Pallida (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Vitis Pedata (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Vitis Planicaulis (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Vitis Quadrangularis (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Vitis Repens (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Vitis Rugosa (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Vitis Setosa (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Vitis Silvestris (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Vitis Trifolia (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
245. Outgoing r'ship FOUND_IN to/from Vitis Vulpina (Plant) Rel Props:Reference:

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3-Methyl-3-buten-1-ol

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Phytochemical Properties

Associated Connections 245

Plant Connections 245