Caryophylla-3,8(15)-dien-5alpha-ol
PubChem CID: 6429041
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Caryophylla-3,8(15)-dien-5.alpha.-ol, PAGSXLWQSGUSAH-XMRSSTEGSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | PAGSXLWQSGUSAH-XMRSSTEGSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | Caryophylla-3,8(15)-dien-5alpha-ol |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S,2Z)-2,6,6-trimethyl-9-methylidenecycloundec-2-en-1-ol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h6,14,16H,1,5,7-11H2,2-4H3/b13-6-/t14-/m0/s1 |
| Smiles | C/C/1=C/CCC(CCC(=C)CC[C@@H]1O)(C)C |
| Xlogp | 3.8 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C15H26O |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Polyanthemos (Plant) Rel Props:Source_db:npass_chem_all