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
3.8015 -1.0445 0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8509 -0.0879 0.2767 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5733 -0.3842 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -1.5887 -0.1891 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6213 0.6609 -0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0225 1.9069 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7375 0.3720 -1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5837 -0.3405 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9544 -0.5566 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7712 0.4499 1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3065 -2.0007 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2980 -0.7471 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5464 -1.1542 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 2.6815 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0193 2.1899 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 1.2911 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6423 -0.3159 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1535 -1.3253 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7753 -0.2363 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1279 -1.6479 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0457 -0.0566 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1857 1.3738 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8519 0.7463 1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5491 -0.1860 2.1535 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