4-Ethyl-3-hexanol

C₈H₁₈OCAS 19780-44-0130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
logP: 2.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

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

19780-44-0

SMILES

CCC(CC)C(CC)O

InChIKey

BOJLCKCCKQMGKD-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-4-7(5-2)8(9)6-3/h7-9H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

3-Hexanol, 4-ethyl-

Work with 4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-3-pentanol565-67-355 % similar Etohexadiol94-96-246 % similar 3-Pentanol584-02-142 % similar 3-Ethyl-2-methylpentane609-26-740 % similar (3R,6R)-3,6-Octanediol129619-37-038 % similar (-)-2-Butanol14898-79-438 % similar (+-)-2-Butanol15892-23-638 % similar (+)-2-Butanol4221-99-238 % 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 Isooctan-1-ol26952-21-6

Elsewhere

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