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
2.9742 0.0586 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7440 0.6403 -0.0468 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5816 -0.1130 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7082 -1.3251 -0.4489 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 0.4561 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8101 -0.2850 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -1.6944 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 1.8861 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9373 -0.2868 -1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1325 -0.8705 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7805 0.7799 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7498 0.1889 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8699 -2.1027 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4897 -1.7788 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2104 -2.3500 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2285 2.4929 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8042 2.2806 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3636 2.0230 1.6392 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