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
2.9704 0.4404 0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7824 -0.3256 0.4182 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 0.1863 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5792 1.3281 -0.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6814 -0.5522 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 -0.0477 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9665 1.2693 -0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6132 -1.8995 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7494 1.4858 0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1892 0.4867 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 0.0420 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7448 -0.6394 -0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3604 1.3888 -1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0248 1.4909 -1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6113 2.0421 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0087 -1.8327 1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1693 -2.6515 0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6466 -2.2118 1.0125 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