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
2.3707 1.3117 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0338 0.9336 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7692 -0.3810 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7351 -1.1796 -0.0855 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5697 -0.8599 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6241 -0.0592 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5059 1.3689 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -2.2665 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0962 0.4982 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6752 2.2088 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4559 1.5779 1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6332 -0.4250 -0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8506 1.9409 -0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4932 1.8603 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0980 1.4036 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0056 -2.6403 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 -2.4189 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8192 -2.8736 0.2471 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