Basic information
- CAS
4335-89-1- Standard SMILES
COP1(=O)OC(C)=CC1(C)C- InChIKey
KCKJPIBIGFUZAS-UHFFFAOYSA-N- Molecular formula
- C7H13O3P
- Average molar mass
- 176.15 g/mol
- Monoisotopic mass
- 176.06023127
Names & identifiers
- Preferred name
- 1,2-Oxaphosphol-4-ene, 2-methoxy-3,3,5-trimethyl-, 2-oxide
- IUPAC
- 2-methoxy-3,3,5-trimethyl-1,2λ5-oxaphosphole 2-oxide
- English name
- 2-Methoxy-3,3,5-trimethyl-2,3-dihydro-1,2-oxaphosphole 2-oxide
- Molecular formula
- C7H13O3P
- Molecular weight
- 176.15
Names & synonyms
4335-89-11,2-OXAPHOSPHOL-4-ENE, 2-METHOXY-3,3,5-TRIMETHYL-, 2-OXIDERefChem:10523852-methoxy-3,3,5-trimethyl-2,3-dihydro-1,2-oxaphosphole 2-oxideBRN 05111862-Methoxy-3,3,5-trimethyl-1,2-oxaphosphol-4-ene 2-oxideDTXSID809629952-Methoxy-3,3,5-trimethyl-2,3-dihydro-1,2lambda~5~-oxaphosphol-2-one1,2-Oxaphosphole, 2,3-dihydro-2-methoxy-3,3,5-trimethyl-, 2-oxide
Database identifiers
- CAS
4335-89-1- PubChem CID
- 20339
- DTXSID
DTXSID80962995- Nikkaji
- J65.690I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 60 · 60-62 °C(Press: 0.06 Torr)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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