Monomers
Methyl 4-methyl-2-methylidenepentanoate
Identifiers
IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=C)C(=O)OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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
24 23 0 0 0 0 0 0 0 0999 V2000
3.1179 1.3497 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8878 0.6710 -0.3216 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6937 -0.5198 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6803 -0.9400 1.0201 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4890 -1.3089 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4800 -2.4907 0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7171 -0.9706 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6032 0.0852 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8193 0.3125 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9776 1.4387 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8469 0.8568 -0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5194 1.2365 0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0388 2.4274 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3868 -3.1334 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3384 -2.8139 1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2737 -1.9102 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3241 -0.6299 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0245 -0.2908 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1271 -0.6018 -1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6027 1.1515 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6550 0.6565 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 1.7136 -0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8144 2.1882 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 1.5225 0.9871 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
5 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
6 14 1 0
6 15 1 0
7 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers