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
3.2355 0.4927 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8248 0.5839 -0.2394 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9931 -0.5292 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5281 -1.6301 -0.5381 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4531 -0.3609 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9832 0.8250 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4412 1.0654 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3020 -1.5778 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6890 0.0925 0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 1.5545 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5617 -0.0871 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3480 1.6946 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0268 0.1605 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5862 1.7723 0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7596 1.6050 -0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 -1.9130 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2536 -1.3599 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7411 -2.3884 -0.8953 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