1-Chloro-3-(octyloxy)propan-2-ol

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Basic information

CAS: 18371-71-6
Standard SMILES: CCCCCCCCOCC(O)CCl
InChIKey: LLABJEIITAMJKJ-UHFFFAOYSA-N
Molecular formula: C11H23ClO2
Average molar mass: 222.75 g/mol
Monoisotopic mass: 222.1386577

Overview

See also: Octylchlorohydrin (annotation moved to).

Names & identifiers

Preferred name: 1-Chloro-3-(octyloxy)propan-2-ol
IUPAC: 1-chloro-3-octoxypropan-2-ol

Names & synonyms

18371-71-61-chloro-3-(octyloxy)propan-2-ol1-chloro-3-octyloxypropan-2-olNSC923872-Propanol,1-chloro-3-(octyloxy)-SCHEMBL2996799DTXSID90293803NSC-92387SBB059974AKOS024390787DS-013579ST51046236

Database identifiers

CAS: 18371-71-6
PubChem CID: 260730
DTXSID: DTXSID90293803
Nikkaji: J2.210.334B

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 109

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Compound notes

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