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
-2.8720 0.9388 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8219 0.0241 -0.0553 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4821 0.3214 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1721 1.4916 0.4328 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 -0.6622 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8456 -0.3800 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 1.0038 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1738 -2.0413 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5306 0.9514 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5555 0.6613 0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5413 1.9688 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5905 -1.1565 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0226 1.7489 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9091 1.2920 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3887 1.0000 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8770 -2.4310 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 -2.6450 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8694 -2.0861 -0.8308 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