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(+)-Isodihydrocarvone

PubChem CID: 443167

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Compound Synonyms (+)-isodihydrocarvone, 6909-25-7, (1S,4R)-Iso-dihydrocarvone, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2S,5R)-, UNII-2L4HMW8YQM, (1S,4R)-(+)-isodihydrocarvone, 2L4HMW8YQM, Dihydrocarvone, (+)-cis-, Menth-8-en-2-one, (1S,4R)-, (Z)-dihydrocarvone, (2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2S-cis)-, (2S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-one, cis-Isodihydrocarvone, cis-(+)-dihydrocarvone, (2S,5R)-2-methyl-5-(1-methylethenyl)-1-cyclohexanone, (1S,4R)-isodihydrocarvone, ISODIHYDROCARVONE, D-, CHEBI:166, SCHEMBL2563912, (1S,4R)-menth-8-en-2-one, AZOCECCLWFDTAP-DTWKUNHWSA-N, DIHYDROCARVONE, CIS-(+)-, (1S,4R)-p-menth-8-en-2-one, LMPR0102090036, (2S,5R)-2-methyl-5-isopropenylcyclohexanone, (2S,5R)-5-isopropenyl-2-methylcyclohexanone, (2S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexanone, Q27105267
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCCC1
Np Classifier Class Menthane monoterpenoids
Deep Smiles CC=C)[C@@H]CC[C@@H]C=O)C6))C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 181.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.7
Gsk 4 400 Rule True
Molecular Formula C10H16O
Scaffold Graph Node Bond Level O=C1CCCCC1
Prediction Swissadme 0.0
Inchi Key AZOCECCLWFDTAP-DTWKUNHWSA-N
Silicos It Class Soluble
Fcsp3 0.7
Logs -2.171
Rotatable Bond Count 1.0
Logd 0.115
Synonyms (z )-dihydrocarvone*****, (z)-dihydrocarvone
Esol Class Soluble
Functional Groups C=C(C)C, CC(C)=O
Compound Name (+)-Isodihydrocarvone
Prediction Hob Swissadme 0.0
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 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -2.5133694
Inchi InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
Smiles C[C@H]1CC[C@H](CC1=O)C(=C)C
Nring 8.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Monoterpenoids