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
3.0056 0.1857 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7736 -0.5044 -0.2306 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5711 0.1565 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6469 1.3953 0.1871 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6937 -0.5303 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7807 0.1647 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 1.6176 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8222 -2.0060 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 0.8654 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2443 0.7590 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7996 -0.5762 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7120 -0.3825 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8913 1.9426 0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4917 2.1197 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2243 2.0083 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7776 -2.3531 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 -2.3043 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0146 -2.5580 0.4855 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