4-Ethyl-3-hexanol

C8H18OCAS 19780-44-0130.23 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

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

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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-Methylpentan-3-ol565-67-355 % 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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