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
2.3094 -1.5498 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9967 -1.0307 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7509 0.3311 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7277 1.0557 0.5155 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5464 0.9254 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6049 0.1954 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5030 -1.2795 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7047 2.3959 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2556 -2.5603 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8979 -0.8301 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8618 -1.6312 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5737 0.6422 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5003 -1.7230 -0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2150 -1.6662 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7791 -1.5863 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2525 2.9281 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2048 2.6299 1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4207 2.7534 -0.7135 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