Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-
PubChem CID: 443166
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| Compound Synonyms | (+)-neoisodihydrocarveol, Neoisodihydrocarveol, 51773-45-6, (1S,2R,4R)-Neoiso-dihydrocarveol, Neo-dihydrocarveol, Neoisocarveol, dihydro-, (1R,2S,5R)-5-isopropenyl-2-methylcyclohexanol, Neoisodihydrocarveol, (+)-, A3V1C5WF34, Dihydroneoisocarveol, (+/-)-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-, 014Z62T71D, (1R,2S,5R)-2-Methyl-5-(1-methylethenyl)cyclohexanol, 18675-34-8, (1R,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-, Dihydro carveol <neo,iso>, (+/-)-dihydroneoisocarveol, UNII-A3V1C5WF34, SCHEMBL15012397, UNII-014Z62T71D, CHEBI:50232, (1S,2R,4R)-neoisodihydrocarveol, DTXSID601224883, (1S,2R,4R)-menth-8-en-2-ol, LMPR0102090035, DB-309640, Q27104755, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1alpha,2alpha,5alpha)-, CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-, (1.ALPHA.,2.ALPHA.,5.ALPHA.)-, CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,2.ALPHA.,5.ALPHA.))-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R-(1alpha,2alpha,5alpha))- |
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| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | KRCZYMFUWVJCLI-IVZWLZJFSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1alpha,2alpha,5alpha)-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-, Dihydroneoisocarveol, Neoisocarveol, dihydro |
| Heavy Atom Count | 11.0 |
| Compound Name | Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel- |
| Description | Neoisodihydrocarveol, also known as (1s,2r,4r)-neoiso-dihydrocarveol or (1r,2s,5r)-5-isopropenyl-2-methylcyclohexanol, 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. Thus, neoisodihydrocarveol is considered to be an isoprenoid lipid molecule. Neoisodihydrocarveol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Neoisodihydrocarveol can be found in caraway and wild celery, which makes neoisodihydrocarveol a potential biomarker for the consumption of these food products. |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1 |
| Smiles | C[C@H]1CC[C@H](C[C@H]1O)C(=C)C |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H18O |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all