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
3.1306 0.0133 -0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7803 0.2936 -0.5966 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9962 -0.5141 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 -1.5133 0.7253 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4136 -0.2087 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0000 0.8397 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4137 1.1266 0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -1.0985 1.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6588 1.0097 -0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6233 -0.5453 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3037 -0.4783 -1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4164 1.4815 -0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5855 1.5260 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7997 1.8548 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0124 0.1884 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5566 -1.8791 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6470 -0.4835 2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 -1.6128 0.7801 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