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
3.2754 -0.0579 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 -0.3335 0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9525 0.6586 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3634 1.8233 -0.3681 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4489 0.2971 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8307 -0.9431 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -1.3549 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5411 1.3171 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5666 0.6293 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5669 0.4080 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8128 -1.0324 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0608 -1.6890 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6078 -1.6402 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8944 -0.5423 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3791 -2.2260 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0648 2.2827 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0770 1.4309 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2991 0.9722 -0.9537 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