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
2.9397 -0.3570 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6574 -0.8057 0.0176 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5810 0.0528 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8045 1.1427 -0.7870 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7705 -0.3183 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8063 0.4527 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6489 1.7619 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9644 -1.6601 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 0.2638 0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8111 0.1959 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5402 -1.2775 -0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7837 0.0694 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6287 2.3100 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 1.6502 -1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9773 2.3970 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4133 -2.4084 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 -1.5726 1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0429 -1.8969 0.7743 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