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
3.9074 1.0142 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5078 0.8560 -0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0165 -0.3970 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8269 -1.3312 0.4563 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5947 -0.6758 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2169 -1.8891 0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3605 0.4332 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8064 0.0350 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6273 1.3186 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2176 -0.9129 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4529 0.4013 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2329 2.0650 -0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2285 0.6474 -1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9561 -2.6543 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8162 -2.1355 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2178 0.9228 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1809 1.1928 1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0594 -0.3444 1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0966 2.2057 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6270 1.2189 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8149 1.4666 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3596 -1.3486 -1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8541 -1.7136 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9024 -0.3753 -1.4190 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