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
3.0479 -1.0570 -0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7465 -0.8618 -0.0043 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9351 0.0867 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 0.7310 -1.5687 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4205 0.3133 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 -0.3616 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 -0.1844 1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2651 1.3365 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5881 -0.0995 -0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0180 -1.5908 -1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5997 -1.6557 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2958 -1.1234 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9965 -0.8877 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2496 -0.3250 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6304 0.8597 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3396 1.0700 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9083 1.4350 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0617 2.3149 -0.2756 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