chempirical

3-Methylpentanedial

C6H10O2CAS 6280-15-5114.14 g/mol

Open in Covalent MOL file
OO
Aldehyde

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Boiling point
87–92 °C (at 18 Torr)
logP
0.80Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
6280-15-5
SMILES
CC(CC=O)CC=O
InChIKey
LUNMJPAJHJAGIS-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-6(2-4-7)3-5-8/h4-6H,2-3H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Pentanedial, 3-methyl-
  • Glutaraldehyde, 3-methyl-
  • 3-Methylglutaraldehyde
  • NSC 11063

Work with 3-Methylpentanedial

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

3,5,5-Trimethylhexanal5435-64-361 % similar Isovaleraldehyde590-86-358 % similar Citronellal106-23-052 % similar (R)-Citronellal2385-77-552 % similar (S)-Citronellal5949-05-352 % similar 3-Hydroxybutanal107-89-150 % similar Hydroxycitronellal107-75-548 % similar 3-(Methylthio)butanal16630-52-746 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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