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
-2.8997 -0.4446 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8294 0.1047 0.1656 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5015 -0.1706 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3759 -0.9239 -1.2121 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6147 0.4002 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8403 0.1282 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1566 -0.7473 -1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3541 1.2736 1.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5832 -1.1860 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5512 0.3123 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5217 -1.0211 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6641 0.5632 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7399 -0.3069 -1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7638 -1.7787 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2595 -0.7928 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2556 1.8250 2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0009 0.7039 2.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3851 2.0606 1.3832 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