chempirical

3-(Hexadecyloxy)propan-1-ol

C19H40O2CAS 23377-40-4300.53 g/mol

Open in Covalent MOL file
OOH
AlcoholEther

Properties

Molecular formula
C19H40O2
Molar mass
300.53 g/mol
Exact mass
300.3028 Da
logP
5.87Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
18

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
23377-40-4
SMILES
CCCCCCCCCCCCCCCCOCCCO
InChIKey
YDCSFYSJEYSCBP-UHFFFAOYSA-N
InChI
InChI=1S/C19H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h20H,2-19H2,1H3

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Names and synonyms

1 names
  • 1-O-Hexadecyl-propanediol-(1,3)

Work with 3-(Hexadecyloxy)propan-1-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hexoxyethanol112-25-483 % similar 2-(Octadecyloxy)ethanol2136-72-383 % similar Polyethylene glycol lauryl ether6540-99-483 % similar Polyethylene glycol lauryl ether9002-92-083 % similar Cetomacrogol 10009004-95-983 % similar Ethylene glycol monooctadecyl ether9005-00-983 % similar 3-Butoxy-1-propanol10215-33-582 % similar Diethylene glycol monohexyl ether112-59-479 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook