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
2.9912 -0.1742 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 0.5029 -0.1981 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5911 -0.1301 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5990 -1.2656 0.5939 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6813 0.4831 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8103 -0.1380 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8854 -1.4792 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7429 1.8452 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -0.6982 1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2921 -0.9455 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7935 0.5860 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7735 0.3363 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9488 -1.7956 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4093 -2.2450 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4463 -1.5067 1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0028 2.5315 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7358 2.3079 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5049 1.7852 -1.9693 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