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Dihydrocarveol

PubChem CID: 12072

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Compound Synonyms Dihydrocarveol, 619-01-2, 1,6-Dihydrocarveol, 2-methyl-5-(prop-1-en-2-yl)cyclohexanol, 8-p-Menthen-2-ol, Neodihydrocarveol, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol, 6-Methyl-3-isopropenylcyclohexanol, 2-Methyl-5-(1-methylethenyl)cyclohexanol, 38049-26-2, Menth-8-en-2-ol, p-MENTH-8-EN-2-OL, 5-Isopropenyl-2-methylcyclohexanol, CHEBI:50215, 2-methyl-5-isopropenylcyclohexanol, (+-)-Dihydrocarveol, (+-)-trans-Dihydrocarveol, EINECS 253-755-5, FEMA No. 2379, DIHYDROCARVEOL [FHFI], EINECS 210-575-1, a dihydrocarveol, 1-Dihydrocarveol, Dihydro carveol neo, Neocarveol, dihydro-, (+/-)-dihydrocarveol, 1-METHYL-4-ISOPROPENYL-2-CYCLOHEXANOL, 2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol, SCHEMBL295511, CYCLOHEXANOL,2-METHYL-5-(1-METHYLETHENYL)-, GTPL6415, (1R,2S,5S)-neodihydrocarveol, DTXSID60862303, AKOS015906522, SB84645, DB-066237, DB-073026, NS00012229, p-Menth-8-en-2-ol, cis-1,2,trans-1,4-, C18017, G77216, Q1225152, 5-Isopropenyl-2-methylcyclohexanol, (1.alpha.,2.alpha.,5.beta.)-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5S)-rel-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.alpha.,5.beta.)-, N-Benzyl-2-[2-methyl-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]acetamide
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 Menthane monoterpenoids
Deep Smiles CC=C)CCCCCC6)O))C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Description Dihydrocarveol, also known as 2-methyl-5-(1-methylethenyl)cyclohexanol or 6-methyl-3-isopropenylcyclohexanol, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Dihydrocarveol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Dihydrocarveol is a herbal, menthol, and minty tasting compound and can be found in a number of food items such as dill, pot marjoram, pepper (spice), and caraway, which makes dihydrocarveol a potential biomarker for the consumption of these food products.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 151.0
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-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.0
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H18O
Scaffold Graph Node Bond Level C1CCCCC1
Prediction Swissadme 1.0
Inchi Key KRCZYMFUWVJCLI-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -2.285
Rotatable Bond Count 1.0
Logd 2.674
Synonyms 1,6-Dihydrocarveol, 2-methyl-5-(1-methylvinyl)cyclohexan-1-ol, 2-methyl-5-(prop-1-en-2-yl)cyclohexanol, 2-methyl-5-isopropenylcyclohexanol, 5-Isopropenyl-2-methylcyclohexanol, 6-Methyl-3-isopropenylcyclohexanol, 6-Methyl-3-isopropylcyclohexanol, 8-p-Menthen-2-ol, Carveol, dihydro-, p-Menth-8-en-2-ol, 2-Methyl-5-(1-methylethenyl)cyclohexanol, 2-Methyl-5-isopropenylcyclohexanol, Menth-8-en-2-ol, 2-Methyl-5-(1-methylvinyl)cyclohexan-1-ol, a Dihydrocarveol, carveol, dihydro, di hydrocarveol, dihydro carveol (neo), dihydrocalveol, dihydrocarveol, dihydrocaweol
Esol Class Soluble
Functional Groups C=C(C)C, CO
Compound Name Dihydrocarveol
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 154.136
Formal Charge 0.0
Monoisotopic Mass 154.136
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 154.25
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.7526686000000002
Inchi InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3
Smiles CC1CCC(CC1O)C(=C)C
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

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  • 54. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699491
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  • 61. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1800
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