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
-0.2684 2.3402 -2.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 1.5246 -1.1525 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5637 0.3981 -0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5961 0.0918 -1.3869 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1535 -0.4363 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9297 -0.1733 1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3216 -1.0432 2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9934 -1.6250 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5834 2.8176 -2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8491 1.7945 -3.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8853 3.1620 -1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5140 0.6939 0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1530 -2.1272 2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3894 -0.8628 2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7658 -0.7104 3.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5494 -2.4765 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8608 -1.9057 1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0628 -1.4622 0.4383 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