(3-Methoxy-2-methylhex-5-en-3-yl)benzene
Basic information
- CAS
198996-98-4- Standard SMILES
C=CCC(OC)(c1ccccc1)C(C)C- InChIKey
ZFEXDVPIVZCOKI-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- (3-Methoxy-2-methylhex-5-en-3-yl)benzene
- IUPAC
- (3-methoxy-2-methylhex-5-en-3-yl)benzene
Names & synonyms
198996-98-4(3-Methoxy-2-methylhex-5-en-3-yl)benzeneSCHEMBL7307357DTXSID90625665
Database identifiers
- CAS
198996-98-4- PubChem CID
- 22443945
- DTXSID
DTXSID90625665- Nikkaji
- J1.265.792G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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