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Menthadienol

PubChem CID: 527143

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Compound Synonyms Menthadienol, 4-Methyl-beta-methylenecyclohex-3-ene-1-ethanol, 3269-90-7, 1,8-P-Menthadien-9-ol, 1,8-p-Menthadien-10-ol, 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol, Limonen-10-ol, p-Mentha-1,8(10)dien-9-ol, 4-Methyl-beta-methylene-3-cyclohexene-1-ethanol, p-Mentha-1,8(10)-dien-9-ol, EINECS 221-889-3, 3-Cyclohexene-1-ethanol, 4-methyl-.beta.-methylene-, 1,8-menthadien-9-ol, (R)-p-Mentha-1,8-dien-10-ol, 3-Cyclohexene-1-ethanol, 4-methyl-beta-methylene-, p-Mentha-1,8-dien-10-ol, DTXSID50863142, Limonene-10-ol, p-menth-1,8-dien-9-ol, CW33HPE66A, p-Mentha-1,8-dien-9-ol, p-Menta-1,8-dien-10-ol, p-Mentha-1,8-diene-10-ol, p-Menthadien-1,8-dien-9-ol, SCHEMBL1245213, DTXCID70811807, CHEBI:171928, 10-hydroxy-1,8-para-menthadiene, 1,8(10)-MENTHADIEN-9-OL, DB-242078, NS00048911
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Monocyclic monoterpenoids
Deep Smiles OCC=C)CCCC=CC6))C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Description Citrus-like flavouring agent [CCD]
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 179.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.1
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H16O
Scaffold Graph Node Bond Level C1=CCCCC1
Prediction Swissadme 1.0
Inchi Key UIMAEYMKYMNCGW-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.6
Logs -2.355
Rotatable Bond Count 2.0
Logd 2.356
Synonyms (R)-Limonen-10-ol, (R)-Limonene-10-ol, 1,8-Menthadien-9-ol, 1,8-P-Menthadien-10-ol, 1,8-P-Menthadien-9-ol, 1-Methyl-4-((hydroxymethyl)vinyl)-cyclohex-1-ene, 4-Methyl-beta-methylene-3-cyclohexene-1-ethanol, 4-Methyl-beta-methylenecyclohex-3-ene-1-ethanol, Limonene-10-ol, Menthadienol, P-Menta-1,8-dien-10-ol, P-Menth-1,8-dien-9-ol, P-Mentha-1,8(10)dien-9-ol, P-Mentha-1,8-dien-10-ol, P-Mentha-1,8-dien-9-ol, P-Mentha-1,8-diene-10-ol, P-Menthadien-1,8-dien-9-ol, 1,8-p-menthadien-2-yl-acetate, limonene-10-ol, p-menthα-1,8-dien-9-ol
Esol Class Soluble
Functional Groups C=C(C)C, CC=C(C)C, CO
Compound Name Menthadienol
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 152.12
Formal Charge 0.0
Monoisotopic Mass 152.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 152.23
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.7434694
Inchi InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3
Smiles CC1=CCC(CC1)C(=C)CO
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Menthane monoterpenoids
Np Classifier Superclass Monoterpenoids