Basic information
- CAS
39599-18-3- Standard SMILES
CC(=CCCC(C)c1ccc(C)cc1)CO- InChIKey
FXCIQPDJVYFUQG-UHFFFAOYSA-N- Molecular formula
- C15H22O
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.16706532
Overview
2-Hepten-1-ol, 2-methyl-6-(4-methylphenyl)-, (E)- has been reported in Santalum album with data available.
Names & identifiers
- Preferred name
- 2-Hepten-1-ol, 2-methyl-6-(4-methylphenyl)-, (E)-
- IUPAC
- 2-methyl-6-(4-methylphenyl)hept-2-en-1-ol
Names & synonyms
2-Hepten-1-ol, 2-methyl-6-(4-methylphenyl)-, (E)-39599-18-3DTXSID30341938RefChem:261376DTXCID202930182-methyl-6-(4-methylphenyl)hept-2-en-1-olSCHEMBL17785040
Database identifiers
- CAS
39599-18-3- PubChem CID
- 577141
- DTXSID
DTXSID30341938
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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