1,4-Anhydro-3,5-dideoxy-4-ethyl-1-propylpentitol

HCID 34728

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Basic information

CAS: 29839-72-3
Standard SMILES: CCCC1OC(C)(CC)CC1O
InChIKey: SZMBJWBJLAVKRD-UHFFFAOYSA-N
Molecular formula: C10H20O2
Average molar mass: 172.26 g/mol
Monoisotopic mass: 172.14632988

Names & identifiers

Preferred name: 1,4-Anhydro-3,5-dideoxy-4-ethyl-1-propylpentitol
IUPAC: 5-ethyl-5-methyl-2-propyloxolan-3-ol

Names & synonyms

29839-72-3DTXSID509522871,4-Anhydro-3,5-dideoxy-4-ethyl-1-propylpentitolRefChem:1053150DTXCID9013803855-Ethyl-5-methyl-2-propyltetrahydro-3-furanol5-ethyl-5-methyl-2-propyloxolan-3-ol3-FURANOL, TETRAHYDRO-5-ETHYL-5-METHYL-2-PROPYL-

Database identifiers

CAS: 29839-72-3
PubChem CID: 34728
DTXSID: DTXSID50952287

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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