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
3.3097 0.1787 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0098 -0.1611 0.3294 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8549 0.3939 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0082 1.2333 -1.1273 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4651 0.0141 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5318 0.5838 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8752 0.1927 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 -0.9828 1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3332 0.4067 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9546 -0.7156 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7524 1.0164 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4464 1.3075 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1933 -0.8038 -0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7777 0.1094 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6213 0.9802 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6598 -0.4723 2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4118 -1.7004 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3472 -1.5805 1.3986 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