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
2.9617 0.2623 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7830 -0.5075 0.0225 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5626 0.1661 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6286 1.4167 -0.1909 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6994 -0.5525 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8224 0.1158 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8277 1.5906 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7401 -2.0472 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7501 -0.2664 -0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 1.2239 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3728 0.3954 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7742 -0.4284 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4410 2.0809 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9160 1.9112 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3266 1.9758 -1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7549 -2.3728 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 -2.4501 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1270 -2.5138 -0.5283 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