Dihydrocarveol, (+/-)-
PubChem CID: 89755
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| Compound Synonyms | (+)-Dihydrocarveol, 22567-21-1, (1S,2S,4S)-Dihydrocarveol, Dihydrocarveol, (+)-, Dihydrocarveol, (+/-)-, (1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol, R6OW1F785H, (1S,2S,5S)-5-Isopropenyl-2-methylcyclohexanol, p-MENTH-8-EN-2-OL, (+/-)-1,6-DIHYDROCARVEOL, ZR76810L52, (+-)-Dihydrocarveol, 1,6-DIHYDROCARVEOL, (+/-)-, FEMA NO. 2379, (+/-)-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.beta.,5.alpha.)-, (+-)-trans-Dihydrocarveol, EINECS 253-755-5, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1alpha,2beta,5alpha)-, 17699-09-1, 38049-26-2, UNII-R6OW1F785H, (1S,2S,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohexanol, d-dihydrocarveol, UNII-ZR76810L52, EINECS 245-085-7, SCHEMBL1655329, CHEBI:50235, DIHYDROCARVEOL(CIS-AXIAL), DTXSID40904694, KRCZYMFUWVJCLI-GUBZILKMSA-N, DTXSID001030862, (+/-)-TRANS-DIHYDROCARVEOL, (1alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-ol, (1S,2S,4S)-menth-8-en-2-ol, (1S-(1alpha,2beta,5alpha))-2-Methyl-5-(1-methylvinyl)cyclohexan-1-ol, (1S,2S,4S)-p-menth-8-en-2-ol, LMPR0102090038, FEMA NO. 2379, (+)-, 2-methyl-5-(1-methylvinyl)cyclohexan-1-ol, NS00088347, P-MENTH-8-EN-2-OL, (1S,2S,4S)-, Q27104757, B3D2B933-889B-4258-BE01-D614E6133429, CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-, (1S,2S,5S)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | (+)-dihydrocarveol, also known as (1s,2s,5s)-5-isopropenyl-2-methylcyclohexanol or (1s,2s,4s)-menth-8-en-2-ol, 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, (+)-dihydrocarveol is considered to be an isoprenoid lipid molecule (+)-dihydrocarveol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (+)-dihydrocarveol can be found in caraway, which makes (+)-dihydrocarveol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | KRCZYMFUWVJCLI-GUBZILKMSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.062 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.02 |
| Synonyms | (1S,2S,4S)-Dihydrocarveol, (1S,2S,5S)-5-isopropenyl-2-methylcyclohexanol, Carveol, dihydro-, cis-, cis-Dihydrocarveol, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1S,2S,5S)-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, [1S-(1alpha,2beta,5alpha)]-, D-Dihydrocarveol, p-Menth-8-en-2-ol, (1S,2S,4S)- (8CI) |
| Compound Name | Dihydrocarveol, (+/-)- |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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/t8-,9-,10-/m0/s1 |
| Smiles | C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all