2-Butoxy-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphospholan-2-one

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Basic information

CAS: 108331-11-9
Standard SMILES: CCCCOP1(=O)OC(C)(C)CC1(C)O
InChIKey: XIQZDXOKWOYJPY-UHFFFAOYSA-N
Molecular formula: C10H21O4P
Average molar mass: 236.24 g/mol
Monoisotopic mass: 236.11774614

Names & identifiers

Preferred name: 2-Butoxy-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphospholan-2-one
IUPAC: 2-butoxy-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol

Names & synonyms

DTXSID509106852-Butoxy-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphospholan-2-oneRefChem:1062659DTXCID501339730108331-11-9cis-2-Butoxy-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-oxide1,2-OXAPHOSPHOLAN-3-OL, 2-BUTOXY-3,5,5-TRIMETHYL-, 2-OXIDE, cis-

Database identifiers

CAS: 108331-11-9
PubChem CID: 60238
DTXSID: DTXSID50910685

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 277

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