chempirical

1-Methylcyclopentyl prop-2-enoate

C9H14O2CAS 178889-49-1154.21 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C9H14O2
Molar mass
154.21 g/mol
Exact mass
154.0994 Da
logP
2.05Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
178889-49-1
SMILES
CC1(CCCC1)OC(=O)C=C
InChIKey
QOTUZLQBNYANGA-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O2/c1-3-8(10)11-9(2)6-4-5-7-9/h3H,1,4-7H2,2H3

Weigh it out

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

Names and synonyms

1 names
  • 1-Methylcyclopentyl acrylate

Work with 1-Methylcyclopentyl prop-2-enoate

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

tert-Butyl acrylate1663-39-457 % similar 2-Methyl-2-adamantyl acrylate249562-06-947 % similar Neopentyl glycol diacrylate2223-82-747 % similar 1-Adamantylacrylate121601-93-244 % similar Heptafluoroisopropyl acrylate13057-08-443 % similar 1,6-Hexanediol diacrylate13048-33-442 % similar Ethyl acrylate140-88-542 % similar Pentaerythritol tetraacrylate4986-89-442 % similar

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

Same formula

Bicyclo[2.2.1]heptane-2-acetic acid1007-01-8 4,4,5A-Trimethylperhydro-1-benzoxiren-2-one10276-21-8 Methyl 2-octynoate111-12-6 Cyclohexyl acrylate3066-71-5 3,5,5-Trimethyl-1,2-cyclohexanedione57696-89-6 5-Norbornene-2,3-dimethanol85-39-2 7,7-Dimethoxybicyclo[2.2.1]hept-2-ene875-04-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook