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
3.1705 -0.7525 -0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7741 -0.6577 -0.9421 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0418 0.0782 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6576 0.6289 0.9470 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4071 0.2358 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9983 -0.3502 -1.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 -0.2047 -1.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 1.0308 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7300 -0.8991 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3341 -1.5646 -0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5301 0.2124 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4661 -0.9281 -1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9961 -0.5563 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 -0.8153 -2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6961 0.8772 -1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1136 0.4804 1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6198 1.1607 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4560 2.0242 0.3963 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