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
3.2227 -0.4891 0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8274 -0.6306 0.2733 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0159 0.4617 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5428 1.5859 -0.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4181 0.3317 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9984 -0.8584 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4543 -1.0426 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 1.5399 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5497 0.5644 0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6263 -1.0228 1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 -0.8850 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3895 -1.7229 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7560 -1.9749 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7774 -1.2536 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0485 -0.2318 0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6785 2.4729 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1043 1.5749 0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5994 1.5801 -1.3639 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