1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene
PubChem CID: 521380
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| Compound Synonyms | 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene, Dysoxylonene, (.+/-.)-Cadinene, USDOQCCMRDNVAH-UHFFFAOYSA-N, NS00049068, 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene #, Naphthalene, 3,4,4a,5,8,8a-hexahydro-4-isopropyl-1,6-dimethyl-, stereoisomer, 5951-61-1, Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1.alpha.,4a.beta.,8a.alpha.)-(.+/-.)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | USDOQCCMRDNVAH-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (-)-beta-cadinene, b-Cadinene, Cadina-3,9-diene |
| Heavy Atom Count | 15.0 |
| Compound Name | 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene |
| Description | Constituent of Pinus caribaea. Mixed cadinene isomers, with b-cadinene usually predominating, occur in several essential oils, especies ylang-ylang, citronella and cade oil from Juniper subspecies Cadinene isomers are used as a flavouring agent and/or flavour modifier. beta-Cadinene is found in many foods, some of which are ginger, common oregano, sweet basil, and common thyme. |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3 |
| Smiles | CC1=CCC2C(C1)C(CC=C2C)C(C)C |
| Xlogp | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24 |
- 1. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all