1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-
PubChem CID: 328947
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| Compound Synonyms | 139492-81-2, DTXSID40316990, 1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene, 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, DTXCID50268113 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C20H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VWSPQDDPRITBAM-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -6.684 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.171 |
| Compound Name | 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.9741512 |
| Inchi | InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3 |
| Smiles | CC1=CCCC(=CCC(CCC(=CCC1)C)C(=C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients