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
2.9338 0.4155 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7788 -0.2165 0.2643 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 0.2187 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5088 1.1761 -0.9708 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6560 -0.4518 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8511 -0.0825 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0558 1.0440 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5032 -1.5896 1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9385 1.4553 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8103 -0.1417 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0061 0.4396 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7121 -0.6258 0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6432 1.9553 -0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5700 0.8243 -1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1619 1.2049 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7114 -1.2560 2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1969 -2.4128 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5481 -1.9573 1.2523 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