Isopropyl dodecanoate

PubChem CID: 25068

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Compound Synonyms	Isopropyl dodecanoate, ISOPROPYL LAURATE, 10233-13-3, propan-2-yl dodecanoate, Dodecanoic acid, 1-methylethyl ester, 1-Methylethyl dodecanoate, UNII-U0JQ94LABM, U0JQ94LABM, iso-Propyl dodecanoate, EINECS 233-560-1, DUB LAIP, LEXOL IPL, MFCD00451146, AEC ISOPROPYL LAURATE, WE(2:0(1Me)/12:0), DTXSID3041904, CHEBI:89676, Dodecanoic acid methylethyl ester, EC 233-560-1, Isopropyl_laurate, SCHEMBL44513, Isopropyl laurate, AldrichCPR, Isopropyl lauric acid, Isopropyl_lauric acid, 1-Methylethyl dodecanoic acid, Dodecanoate methyl ethyl ester, dodecanoic acid isopropyl ester, DTXCID1021904, ISOPROPYL LAURATE [INCI], Dodecanoic acid methyl ethyl ester, LMFA07010674, AKOS014763161, CS-W002613, DS-2780, SY003934, DB-058798, NS00003346, Q5971737, 233-560-1, 56S
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Np Classifier Class	Wax monoesters
Deep Smiles	CCCCCCCCCCCC=O)OCC)C
Heavy Atom Count	17.0
Classyfire Class	Fatty acyls
Classyfire Subclass	Fatty acid esters
Isotope Atom Count	0.0
Molecular Complexity	176.0
Database Name	cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	propan-2-yl dodecanoate
Prediction Hob	1.0
Class	Fatty Acyls
Veber Rule	False
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	6.1
Superclass	Lipids and lipid-like molecules
Subclass	Fatty acid esters
Gsk 4 400 Rule	False
Molecular Formula	C15H30O2
Prediction Swissadme	0.0
Inchi Key	UJPPXNXOEVDSRW-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.9333333333333332
Logs	-5.881
Rotatable Bond Count	12.0
Logd	4.533
Synonyms	Isopropyl_lauric acid, Isopropyl dodecanoic acid, isopropyl dodecanoate, isopropyl laurate
Esol Class	Moderately soluble
Functional Groups	COC(C)=O
Compound Name	Isopropyl dodecanoate
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	242.225
Formal Charge	0.0
Monoisotopic Mass	242.225
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	242.4
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	-4.4631986
Inchi	InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
Smiles	CCCCCCCCCCCC(=O)OC(C)C
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Fatty acid esters
Np Classifier Superclass	Fatty esters

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111. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Isopropyl dodecanoate

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Phytochemical Properties

Associated Connections 111

Plant Connections 111