1,4-Anhydro-2,5-dideoxy-1-ethyl-1-propylpentitol

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Basic information

CAS: 6744-59-8
Standard SMILES: CCCC1(CC)CC(O)C(C)O1
InChIKey: FTHMNSPIIMRDSF-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-ethyl-1-propylpentitol
IUPAC: 5-ethyl-2-methyl-5-propyloxolan-3-ol

Names & synonyms

6744-59-8DTXSID009867141,4-Anhydro-2,5-dideoxy-1-ethyl-1-propylpentitolRefChem:1053145DTXCID5014138915-Ethyl-2-methyl-5-propyltetrahydro-3-furanol5-ethyl-2-methyl-5-propyloxolan-3-ol3-FURANOL, TETRAHYDRO-5-ETHYL-2-METHYL-5-PROPYL-

Database identifiers

CAS: 6744-59-8
PubChem CID: 23197
DTXSID: DTXSID00986714

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 147

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Compound notes

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