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
1.9198 0.9296 2.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 -0.0530 1.2504 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2979 0.3303 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0222 1.5545 0.3199 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3288 -0.6745 -0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2604 -0.3344 -1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7310 1.0722 -1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0759 -2.0919 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 1.7484 2.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 1.3594 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3074 0.4616 3.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7035 -1.1103 -1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8400 1.6798 -1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4383 1.1069 -2.3644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1217 1.4901 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6391 -2.7394 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0839 -2.4570 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0828 -2.2724 -0.8646 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