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
2.9851 -0.0531 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 -0.5850 -0.1406 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5766 0.0832 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6729 1.1700 0.7585 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7099 -0.4076 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8211 0.2422 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8821 1.5197 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7512 -1.6769 -1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8480 1.0609 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8335 -0.2613 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2891 -0.4311 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7838 -0.1640 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9145 1.8455 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2704 2.3252 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4549 1.3759 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -1.6515 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2178 -1.9182 -1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0284 -2.4740 -0.3407 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