2,5-Anhydro-2-butyl-1,3-dideoxypentitol

HCID 34710

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Basic information

CAS: 29839-53-0
Standard SMILES: CCCCC1(C)CC(O)CO1
InChIKey: RSASFMWFUQRKDA-UHFFFAOYSA-N
Molecular formula: C9H18O2
Average molar mass: 158.24 g/mol
Monoisotopic mass: 158.13067981

Names & identifiers

Preferred name: 2,5-Anhydro-2-butyl-1,3-dideoxypentitol
IUPAC: 5-butyl-5-methyloxolan-3-ol

Names & synonyms

29839-53-0DTXSID809522702,5-Anhydro-2-butyl-1,3-dideoxypentitolRefChem:1060029DTXCID8013803685-Butyl-5-methyltetrahydro-3-furanolBRN 01051613-FURANOL, TETRAHYDRO-5-BUTYL-5-METHYL-5-17-03-00172 (Beilstein Handbook Reference)

Database identifiers

CAS: 29839-53-0
PubChem CID: 34710
DTXSID: DTXSID80952270

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 125

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