Monomers
Methyl tiglate
Identifiers
IUPAC name
methyl (E)-2-methylbut-2-enoate
InchI
InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InchI Key
YYJWBYNQJLBIGS-SNAWJCMRSA-N
SMILES
COC(=O)/C(=C/C)/C
Canonical SMILES
CC=C(C)C(=O)OC
Isomeric SMILES
C/C=C(\C)/C(=O)OC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
2.9717 0.0371 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7360 -0.6090 -0.0226 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5760 0.1348 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6999 1.3414 0.4531 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 -0.4901 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8218 0.2281 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8433 1.6436 0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7751 -1.9319 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8467 0.7857 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1856 0.6360 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7894 -0.6772 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7751 -0.2754 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2876 2.2494 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8865 1.9908 0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3637 1.8517 1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7822 -2.0373 -1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6624 -2.4258 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1102 -2.4517 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
6 7 1 0
5 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
6 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers