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
4.2019 -0.1992 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.3510 0.6386 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8343 -0.3853 0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8813 -1.5236 1.2096 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 0.1866 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6454 1.3794 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5984 -0.6574 0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8667 -0.0420 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1636 1.1845 0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9654 -1.0810 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6873 -0.7471 0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8095 0.6456 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9085 -0.8891 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5701 1.9260 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2403 1.8162 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3683 -1.6081 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7308 -0.9517 1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8463 0.2576 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4732 2.0366 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0154 0.9261 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3135 1.4469 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2378 -1.0242 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5244 -2.0866 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8034 -0.9614 -0.6685 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