1-(Diethoxyphosphorylmethyl)-4-propan-2-ylcyclohexene
Basic information
- CAS
54825-93-3- Standard SMILES
CCOP(=O)(CC1=CCC(C(C)C)CC1)OCC- InChIKey
WMJPLRIBJDBTFJ-UHFFFAOYSA-N- Molecular formula
- C14H27O3P
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.16978172
Names & identifiers
- Preferred name
- 1-(Diethoxyphosphorylmethyl)-4-propan-2-ylcyclohexene
- IUPAC
- 1-(diethoxyphosphorylmethyl)-4-propan-2-ylcyclohexene
Names & synonyms
54825-93-31-(diethoxyphosphorylmethyl)-4-propan-2-ylcyclohexeneNSC126261DTXSID90298792NSC-126261Diethyl {[4-(propan-2-yl)cyclohex-1-en-1-yl]methyl}phosphonate
Database identifiers
- CAS
54825-93-3- PubChem CID
- 277403
- DTXSID
DTXSID90298792
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 313
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Compound notes
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