1,4-Anhydro-2,5-dideoxy-1,4-diethylpentitol

HCID 34720

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Basic information

CAS: 29839-64-3
Standard SMILES: CCC1CC(O)C(C)(CC)O1
InChIKey: JBFNYQMMLGRAMG-UHFFFAOYSA-N
Molecular formula: C9H18O2
Average molar mass: 158.24 g/mol
Monoisotopic mass: 158.13067981

Names & identifiers

Preferred name: 1,4-Anhydro-2,5-dideoxy-1,4-diethylpentitol
IUPAC: 2,5-diethyl-2-methyloxolan-3-ol

Names & synonyms

29839-64-3DTXSID909522811,4-Anhydro-2,5-dideoxy-1,4-diethylpentitolRefChem:1053143DTXCID1013803792,5-Diethyl-2-methyltetrahydro-3-furanol3-FURANOL, TETRAHYDRO-2,5-DIETHYL-2-METHYL-SCHEMBL573786

Database identifiers

CAS: 29839-64-3
PubChem CID: 34720
DTXSID: DTXSID90952281

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

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