3-Hydroxy-3,5,5-trimethyl-2-propoxy-1,2lambda~5~-oxaphospholan-2-one

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Basic information

CAS: 89175-79-1
Standard SMILES: CCCOP1(=O)OC(C)(C)CC1(C)O
InChIKey: JZFGQRUSUFQSBF-UHFFFAOYSA-N
Molecular formula: C9H19O4P
Average molar mass: 222.22 g/mol
Monoisotopic mass: 222.10209608

Names & identifiers

Preferred name: 3-Hydroxy-3,5,5-trimethyl-2-propoxy-1,2lambda~5~-oxaphospholan-2-one
IUPAC: 3,5,5-trimethyl-2-oxo-2-propoxy-1,2λ5-oxaphospholan-3-ol

Names & synonyms

89175-79-1DTXSID0010086873-Hydroxy-3,5,5-trimethyl-2-propoxy-1,2lambda~5~-oxaphospholan-2-oneRefChem:1067945DTXCID201435519cis-2-Propoxy-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-oxide1,2-OXAPHOSPHOLAN-3-OL, 2-PROPOXY-3,5,5-TRIMETHYL-, 2-OXIDE, cis-

Database identifiers

CAS: 89175-79-1
PubChem CID: 55913
DTXSID: DTXSID001008687

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 264

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Compound notes

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