2,3-Dimethylpentanal

C₇H₁₄OCAS 32749-94-3114.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₄O
Molar mass: 114.19 g/mol
Exact mass: 114.1045 Da
Boiling point: 141–142 °C
logP: 1.87Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

32749-94-3

SMILES

CCC(C)C(C)C=O

InChIKey

BOHKXQAJUVXBDQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

Pentanal, 2,3-dimethyl-
Valeraldehyde, 2,3-dimethyl-
2,3-Dimethylvaleraldehyde
NSC 73707

Work with 2,3-Dimethylpentanal

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-Mercapto-2-methylpentanal227456-28-256 % similar 2-Methylbutanal96-17-348 % similar 3,4-Dimethylhexane583-48-248 % similar 2-Ethylbutanal97-96-146 % similar 2,3-Dimethylpentane565-59-342 % similar 2-Ethylhexanal123-05-735 % similar (±)-2-Methylpentanal123-15-934 % similar H-Ile-nh2 hcl10466-56-534 % similar

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

Same formula

Cyclohexylmethanol100-49-2 3-Heptanone106-35-4 5-Methyl-2-hexanone110-12-3 2-Heptanone110-43-0 Heptanal111-71-7 4-Heptanone123-19-3 trans-2-Hepten-1-ol33467-76-4 (±)-1-Hepten-3-ol4938-52-7

Elsewhere

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