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
2.6464 1.3557 -1.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7564 0.7037 -0.8182 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 -0.6516 -0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1073 -1.3627 -1.6748 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5889 -1.3334 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4833 -2.5731 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1290 -0.5103 1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9688 0.5685 0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6368 1.3152 1.6379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 0.0478 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1807 2.2090 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5475 1.6350 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0268 0.6231 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4244 -2.6953 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4003 -3.5462 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8328 -1.1841 1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6031 -0.0881 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3752 1.3299 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6451 0.8367 1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7238 2.4012 1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0596 1.1657 2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8907 0.4287 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0612 -1.0535 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 0.3781 -0.1074 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