chempirical

3-Ethoxy-1-propanol

C5H12O2CAS 111-35-3104.15 g/mol

Open in Covalent MOL file
OOH
AlcoholEther

Properties

Molecular formula
C5H12O2
Molar mass
104.15 g/mol
Exact mass
104.0837 Da
Melting point
160.5 °C
Boiling point
75 °C
logP
0.41Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
111-35-3
SMILES
CCOCCCO
InChIKey
XHMWPVBQGARKQM-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 1-Propanol, 3-ethoxy-
  • 3-Ethoxypropanol
  • NSC 78799
  • 3-Ethoxy-2-propyl alcohol

Work with 3-Ethoxy-1-propanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Ethoxyethanol110-80-570 % similar 2-(2-Ethoxyethoxy)ethanol111-90-064 % similar Triethylene glycol monoethyl ether112-50-564 % similar 3-Butoxy-1-propanol10215-33-561 % similar Butyl ethyl ether628-81-955 % similar Ethylene glycol diethyl ether629-14-153 % similar Diethylene glycol diethyl ether112-36-750 % similar 3-Ethoxypropylamine6291-85-650 % similar

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

Same formula

2-Isopropoxyethanol109-59-1 1,5-Pentanediol111-29-5 4-Methoxy-1-butanol111-32-0 Neopentyl glycol126-30-7 1-Ethoxy-2-propanol1569-02-4 (2R)-2-Methyl-1,4-butanediol22644-28-6 3-Methoxybutanol2517-43-3 3-Methyl-1,3-butanediol2568-33-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook