1,4-Anhydro-2,5-dideoxy-1,4-diethyl-1-methylpentitol
Basic information
- CAS
30010-09-4- Standard SMILES
CCC1(C)CC(O)C(C)(CC)O1- InChIKey
XHMBCZZQJZWXJM-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 1,4-Anhydro-2,5-dideoxy-1,4-diethyl-1-methylpentitol
- IUPAC
- 2,5-diethyl-2,5-dimethyloxolan-3-ol
Names & synonyms
30010-09-4DTXSID709524261,4-anhydro-2,5-dideoxy-1,4-diethyl-1-methylpentitolRefChem:1053142DTXCID7013805152,5-Diethyl-2,5-dimethyltetrahydro-3-furanol3-FURANOL, TETRAHYDRO-2,5-DIETHYL-2,5-DIMETHYL-
Database identifiers
- CAS
30010-09-4- PubChem CID
- 34774
- DTXSID
DTXSID70952426
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
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Compound notes
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