Basic information
- CAS
1714-38-1- Standard SMILES
COC1C=CC=CC=C1- InChIKey
RUJLQZXBIZHGNF-UHFFFAOYSA-N- Molecular formula
- C8H10O
- Average molar mass
- 122.16 g/mol
- Monoisotopic mass
- 122.07316494
Names & identifiers
- Preferred name
- 7-Methoxycycloheptatriene
- IUPAC
- 7-methoxycyclohepta-1,3,5-triene
Names & synonyms
7-Methoxycycloheptatriene7-Methoxycyclohepta-1,3,5-triene7-Methoxy-1,3,5-cycloheptatriene1,3,5-Cycloheptatriene, 7-methoxy-Ether, 2,4,6-cycloheptatrien-1-yl methylDTXSID30169078NSC 121193RefChem:106299DTXCID5091569RUJLQZXBIZHGNF-UHFFFAOYSA-N1714-38-1NSC-121193
Show more names
7-MethoxytropilideneNSC121193YA9B82Z6JQ7-Methoxy-1,5-cycloheptatrieneSCHEMBL109050181,5-Cycloheptatriene, 7-methoxy-7-methoxy-cyclohepta-1,3,5-trieneEther,4,6-cycloheptatrien-1-yl methyl
Database identifiers
- CAS
1714-38-1- PubChem CID
- 137170
- DTXSID
DTXSID30169078- UNII
- YA9B82Z6JQ
- Nikkaji
- J708.949J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 138
Related reactions
5 records
Compound notes
Loading…