Methyl tiglate
Properties
- Molecular formula
- C6H10O2
- Molar mass
- 114.14 g/mol
- Exact mass
- 114.0681 Da
- Density
- 0.9498 g/mL (at 20 °C)
- Melting point
- 124–125 °C
- Boiling point
- 139 °C
- logP
- 1.13Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
6622-76-0SMILES
C/C=C(C)C(=O)OCInChIKey
YYJWBYNQJLBIGS-SNAWJCMRSA-NInChI
InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Butenoic acid, 2-methyl-, methyl ester, (2E)-
- Crotonic acid, 2-methyl-, methyl ester, (E)-
- 2-Butenoic acid, 2-methyl-, methyl ester, (E)-
- Tiglic acid, methyl ester
- Methyl (E)-2-methylcrotonate
- Methyl trans-2-methylcrotonate
- Methyl α-methylcrotonate
- (E)-Methyl 2-methyl-2-butenoate
- NSC 55277
- Methyl trans-2-methyl-2-butenoate
Work with Methyl tiglate
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
Ethyl tiglate5837-78-555 % similar
Dimethyl oxalate553-90-250 % similar
Angelic acid565-63-948 % similar
Tiglic acid80-59-148 % similar
3-Methyl-3-penten-2-one565-62-846 % similar
Methyl pyruvate600-22-646 % similar
Benzyl tiglate37526-88-844 % similar
(Z)-3-Hexenyl tiglate67883-79-844 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds