3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene
Basic information
- CAS
98677-98-6- Standard SMILES
COC1=CC(C)CC(C)=C1- InChIKey
SNEXTYOVZVMOCT-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene
- IUPAC
- 3-methoxy-1,5-dimethylcyclohexa-1,3-diene
Names & synonyms
3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene98677-98-63-methoxy-1,5-dimethylcyclohexa-1,3-dieneSCHEMBL13269852SCHEMBL16897470DTXSID00913126
Database identifiers
- CAS
98677-98-6- PubChem CID
- 145335
- DTXSID
DTXSID00913126
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
- 10
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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