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
2.5430 0.9159 0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1874 0.7271 0.2514 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5929 -0.5440 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3587 -1.4890 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.7563 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6030 0.2365 -0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0820 1.6135 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2812 -2.1776 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6487 1.8417 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 1.0598 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9517 0.0598 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6288 0.0602 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9074 2.3047 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2750 1.7824 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 1.9025 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6641 -2.7198 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 -2.5687 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3573 -2.2485 -0.2903 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