chempirical

Methyl nonanoate

C10H20O2CAS 1731-84-6172.27 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H20O2
Molar mass
172.27 g/mol
Exact mass
172.1463 Da
Density
0.8655 g/mL (at 25 °C)
Boiling point
213.5 °C
logP
2.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
1731-84-6
SMILES
CCCCCCCCC(=O)OC
InChIKey
IJXHLVMUNBOGRR-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Nonanoic acid, methyl ester
  • Methyl nonylate
  • Methyl pelargonate
  • Methyl n-nonanoate
  • Pelargonic acid methyl ester

Work with Methyl nonanoate

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

Methyl heptanoate106-73-0100 % similar Methyl decanoate110-42-9100 % similar Methyl octanoate111-11-5100 % similar Methyl laurate111-82-0100 % similar Methyl palmitate112-39-0100 % similar Methyl stearate112-61-8100 % similar Methyl eicosanoate1120-28-1100 % similar Methyl undecanoate1731-86-8100 % similar

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

Same formula

2-Ethylhexyl acetate103-09-3 Isobutyl hexanoate105-79-3 Ethyl octanoate106-32-1 Hydroxycitronellal107-75-5 Octyl acetate112-14-1 4-Ethyloctanoic acid16493-80-4 1,1-Diethoxycyclohexane1670-47-9 Pentyl pentanoate2173-56-0

Elsewhere

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