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
2.9488 0.4842 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8233 -0.0595 -0.0760 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5227 0.2015 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2703 0.9317 1.2968 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5935 -0.3704 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8446 -0.1482 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 0.6890 1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3106 -1.2546 -1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8257 -0.1965 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2180 1.4371 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7657 0.6386 1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6513 -0.6090 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8420 0.2615 2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3507 0.6785 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8921 1.7434 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7842 -1.3077 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7559 -0.8325 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6636 -2.2872 -1.3816 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