Diethyl[2-(4-methylcyclohex-3-en-1-yl)propyl]phosphonate
Basic information
- CAS
49830-19-5- Standard SMILES
CCOP(=O)(CC(C)C1CC=C(C)CC1)OCC- InChIKey
GJGRRFCWPJYRAX-UHFFFAOYSA-N- Molecular formula
- C14H27O3P
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.16978172
Names & identifiers
- Preferred name
- Diethyl[2-(4-methylcyclohex-3-en-1-yl)propyl]phosphonate
- IUPAC
- 4-(1-diethoxyphosphorylpropan-2-yl)-1-methylcyclohexene
Names & synonyms
49830-19-5Diethyl (2-(4-methylcyclohex-3-en-1-yl)propyl)phosphonatediethyl[2-(4-methylcyclohex-3-en-1-yl)propyl]phosphonatediethyl [2-(4-methylcyclohex-3-en-1-yl)propyl]phosphonateNSC126262DTXSID50298793NSC-126262
Database identifiers
- CAS
49830-19-5- PubChem CID
- 277404
- DTXSID
DTXSID50298793
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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