chempirical

Isooctyl methacrylate

C12H22O2CAS 28675-80-1198.31 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
logP
3.32Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
28675-80-1
SMILES
CC(C)CCCCCOC(=O)C(=C)C
InChIKey
NQSLZEHVGKWKAY-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-14-12(13)11(3)4/h10H,3,5-9H2,1-2,4H3

Weigh it out

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

Names and synonyms

2 names
  • 2-Propenoic acid, 2-methyl-, isooctyl ester
  • Methacrylic acid, isooctyl ester

Work with Isooctyl methacrylate

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

Butanediol dimethacrylate2082-81-773 % similar Hexamethylene dimethacrylate6606-59-373 % similar 1,12-Dodecanediol dimethacrylate72829-09-573 % similar Isobutyl methacrylate97-86-964 % similar Hexyl methacrylate142-09-663 % similar Lauryl methacrylate142-90-563 % similar Tridecyl methacrylate2495-25-263 % similar Stearyl methacrylate32360-05-763 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 (1,1'-Bi(cyclohexane))-2,2'-diol17385-36-3 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1

Elsewhere

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