Basic information
- CAS
98677-97-5- Standard SMILES
COC1=CCCC(C)=C1- InChIKey
IGWOPMYDPJKFJT-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 3-Methoxy-1-methyl-1,3-cyclohexadiene
- IUPAC
- 3-methoxy-1-methylcyclohexa-1,3-diene
Names & synonyms
3-Methoxy-1-methyl-1,3-cyclohexadiene98677-97-53-methoxy-1-methylcyclohexa-1,3-dieneSCHEMBL2464091SCHEMBL10181202DTXSID80243776
Database identifiers
- CAS
98677-97-5- PubChem CID
- 145334
- DTXSID
DTXSID80243776
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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