2,5-Anhydro-1,3-dideoxy-2-propylpentitol

HCID 34709

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Basic information

CAS: 29839-52-9
Standard SMILES: CCCC1(C)CC(O)CO1
InChIKey: VWZROJWIDGHRRX-UHFFFAOYSA-N
Molecular formula: C8H16O2
Average molar mass: 144.21 g/mol
Monoisotopic mass: 144.11502975

Names & identifiers

Preferred name: 2,5-Anhydro-1,3-dideoxy-2-propylpentitol
IUPAC: 5-methyl-5-propyloxolan-3-ol

Names & synonyms

29839-52-9DTXSID709522692,5-Anhydro-1,3-dideoxy-2-propylpentitolRefChem:1060025DTXCID1013803675-Methyl-5-propyltetrahydro-3-furanolBRN 01039883-FURANOL, TETRAHYDRO-5-METHYL-5-PROPYL-0-17-00-00108 (Beilstein Handbook Reference)

Database identifiers

CAS: 29839-52-9
PubChem CID: 34709
DTXSID: DTXSID70952269

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 114

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