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
2.9947 -0.0015 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6746 0.2417 -0.7632 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5895 -0.0567 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8898 -0.5374 1.1934 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7716 0.1863 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7782 -0.0954 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5998 -0.6634 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0319 0.7558 -1.7053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9323 -0.8092 0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3539 0.9037 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6332 -0.2953 -1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7878 0.0958 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0962 -1.6519 1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0012 -0.0250 2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6018 -0.7734 2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 1.8352 -1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1251 0.7343 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5529 0.1566 -2.5143 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