(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
PubChem CID: 78790
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| Compound Synonyms | 5113-87-1, (1R)-(+)-trans-Isolimonene, (+)-trans-Isolimonene, (3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene, (3R,6R)-3-methyl-6-prop-1-en-2-ylcyclohexene, EINECS 225-843-3, DTXSID70199152, Cyclohexene, 3-methyl-6-(1-methylethenyl)-, (3R-trans)-, p-Mentha-2,8-diene, (1R,4R)-(+)-, Isolimonene, trans-(+)-, (+)-3R-trans-Isolimonene, (+)-(1R,4R)-trans-Isolimonene, 3-Isopropenyl-6-methyl-1-cyclohexene-, (3R-trans)-, CHEBI:90014, DTXCID00121643, HY-N7250, AKOS017343718, DA-59446, FL145249, CS-0110667, NS00032218, (3r-trans)-3-methyl-6-(1-methylethenyl) cyclohexene, (3R-trans)-3-methyl-6-(1-methylethenyl)cyclohexene, (3R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-1-ene, Rel-(3R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-1-ene, (1R)-(+)-trans-Isolimonene, >=95.0% (sum of enantiomers, GC), 225-843-3 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,6R)-3-methyl-6-prop-1-en-2-ylcyclohexene |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 4.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWCNAXRPQBLSNO-UWVGGRQHSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.899 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.73 |
| Compound Name | (3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene |
| Kingdom | Organic compounds |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -3.1512756 |
| Inchi | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3/t9-,10-/m0/s1 |
| Smiles | C[C@@H]1CC[C@H](C=C1)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients