(R)-1-methyl-5-(1-methylvinyl)cyclohexene
PubChem CID: 102625
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| Compound Synonyms | (R)-1-Methyl-5-(1-methylvinyl)cyclohexene, 1-methyl-5-prop-1-en-2-ylcyclohexene, 13898-73-2, 1461-27-4, Cyclohexene, 1-methyl-5-(1-methylethenyl)-, EINECS 215-961-3, Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-, m-Mentha-6,8-diene, (R)-(+)-, JWQKMEKSFPNAIB-UHFFFAOYSA-N, DTXSID101030796, 1-Methyl-5-(1-methylethenyl)cyclohexene, 5-Isopropenyl-1-methyl-1-cyclohexene #, 1-methyl-5-(1-methylethenyl) cyclohexene, NS00010713, 215-961-3 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Sylvestrine is a member of the class of compounds known as monocyclic monoterpenoids. Monocyclic monoterpenoids are monoterpenoids containing 1 ring in the isoprene chain. Sylvestrine can be found in summer savory, which makes sylvestrine a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-5-prop-1-en-2-ylcyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JWQKMEKSFPNAIB-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.225 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.476 |
| Compound Name | (R)-1-methyl-5-(1-methylvinyl)cyclohexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7354756 |
| Inchi | InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3 |
| Smiles | CC1=CCCC(C1)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Satureja Hortensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all