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

HCID 34713

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Basic information

CAS: 29839-56-3
Standard SMILES: CCCCCCCCCC1(C)CC(O)CO1
InChIKey: SJPBBWQRVUAZJB-UHFFFAOYSA-N
Molecular formula: C14H28O2
Average molar mass: 228.37 g/mol
Monoisotopic mass: 228.20893013

Names & identifiers

Preferred name: 2,5-Anhydro-1,3-dideoxy-2-nonylpentitol
IUPAC: 5-methyl-5-nonyloxolan-3-ol

Names & synonyms

29839-56-3DTXSID609522732,5-Anhydro-1,3-dideoxy-2-nonylpentitolRefChem:1060024DTXCID5013803715-Methyl-5-nonyltetrahydro-3-furanol3-FURANOL, TETRAHYDRO-5-METHYL-5-NONYL-

Database identifiers

CAS: 29839-56-3
PubChem CID: 34713
DTXSID: DTXSID60952273

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 182

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