3-Hydroxy-3,5,5-trimethyl-2-(pentyloxy)-1,2lambda~5~-oxaphospholan-2-one

HCID 60239

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Basic information

CAS: 108331-12-0
Standard SMILES: CCCCCOP1(=O)OC(C)(C)CC1(C)O
InChIKey: VHSRTSZDSBGHSJ-UHFFFAOYSA-N
Molecular formula: C11H23O4P
Average molar mass: 250.27 g/mol
Monoisotopic mass: 250.13339621

Names & identifiers

Preferred name: 3-Hydroxy-3,5,5-trimethyl-2-(pentyloxy)-1,2lambda~5~-oxaphospholan-2-one
IUPAC: 3,5,5-trimethyl-2-oxo-2-pentoxy-1,2λ5-oxaphospholan-3-ol

Names & synonyms

DTXSID109106863-Hydroxy-3,5,5-trimethyl-2-(pentyloxy)-1,2lambda~5~-oxaphospholan-2-oneRefChem:1067943DTXCID201339731108331-12-0BRN 5523725cis-2-(Pentyloxy)-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-oxide1,2-OXAPHOSPHOLAN-3-OL, 2-(PENTYLOXY)-3,5,5-TRIMETHYL-, 2-OXIDE, cis-

Database identifiers

CAS: 108331-12-0
PubChem CID: 60239
DTXSID: DTXSID10910686

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 290

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