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
3.1891 -0.7559 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7986 -0.6518 0.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9882 0.2059 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5558 0.8698 -1.4077 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4285 0.2982 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 -0.4455 0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3788 -0.4061 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2742 1.2246 -0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3934 -1.0198 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6325 0.2208 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5812 -1.5836 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3249 -1.1266 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0192 -0.2996 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7000 -1.3635 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5847 0.3947 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7290 1.5637 -1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1980 0.7487 -1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5753 2.1259 -0.4009 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