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
2.9882 -0.0365 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7700 0.5041 0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5536 -0.1402 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5952 -1.2556 0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6919 0.4255 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8636 -0.1688 -0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9484 -1.4889 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 1.7392 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2952 0.5111 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8750 -1.1347 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7297 0.0996 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.2628 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9936 -1.8701 0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3500 -2.2192 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6012 -1.4334 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3169 2.2648 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8347 1.5506 -2.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4260 2.3897 -0.5544 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