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
2.8091 1.7088 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6793 0.8806 0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7546 -0.1902 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8878 -0.3733 -0.8715 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7313 -1.1493 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0025 -2.1402 -1.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6031 -1.1040 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5554 -0.0776 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8599 -0.3000 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 1.3350 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4867 1.1898 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2726 1.9178 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4839 2.6541 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -2.8558 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9750 -2.2294 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1161 -2.1216 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5596 -0.9470 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7760 -0.2152 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6709 0.1863 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7198 0.1314 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9546 -1.3854 0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9012 1.4069 0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 1.7188 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0996 1.9597 -0.3849 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