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
2.4475 1.2927 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0801 0.9382 0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7597 -0.4078 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6876 -1.2511 0.0371 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6257 -0.8682 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 -0.0223 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4869 1.4401 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9066 -2.3317 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5810 2.2821 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7909 1.3690 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0277 0.5231 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6600 -0.4023 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8775 1.8763 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4565 1.9595 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9434 1.6486 1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0512 -2.8624 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8464 -2.5784 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8710 -2.6054 0.3455 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