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
3.2406 0.5430 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8325 0.7239 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0271 -0.4305 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5907 -1.5455 -0.0397 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -0.2981 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0113 0.8705 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4848 0.9714 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2567 -1.5226 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7940 1.4734 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4369 0.1043 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5479 -0.1434 0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4344 1.7843 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9825 0.6521 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8021 2.0061 0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8615 0.3726 1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6541 -2.3434 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2447 -1.4110 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3173 -1.8070 -0.9089 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