3-Ethyl-3-hexanol

C₈H₁₈OCAS 597-76-2130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Boiling point: 160 °C
logP: 2.34Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Identifiers

CAS number

597-76-2

SMILES

CCCC(O)(CC)CC

InChIKey

WNDLTOTUHMHNOC-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-4-7-8(9,5-2)6-3/h9H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

3-Hexanol, 3-ethyl-
1,1-Diethyl-1-butanol
1,1-Diethylbutanol
NSC 28044

Work with 3-Ethyl-3-hexanol

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

3-Ethyl-3-pentanol597-49-961 % similar 1-Ethylcyclohexanol1940-18-755 % similar 2-Methyl-2-pentanol590-36-343 % similar 3-Methyl-3-octanol5340-36-339 % similar 4,7-Dimethyl-5-decyn-4,7-diol126-87-438 % similar 3-Methyl-3-nonanol21078-72-838 % similar 3-Ethyl-1-heptyn-3-ol5396-61-238 % similar 4,4-Dimethyl heptane1068-19-536 % similar

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

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 2-Octanol123-96-6 Dibutyl ether142-96-1 5-Methyl-3-heptanol18720-65-5 2,5-Dimethyl-3-hexanol19550-07-3 3-Octanol20296-29-1 2,3,4-Trimethyl-3-pentanol3054-92-0

Elsewhere

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