Monomers
Methyl 3-methyl-2-methylidenepentanoate
Identifiers
IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=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
-1.6472 0.5313 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7977 -0.5580 0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1017 -0.4177 -0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3509 -0.3118 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0957 -1.3303 -0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 0.8946 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4698 1.8835 0.2461 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4789 0.9390 -0.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2074 2.0796 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4592 -1.7405 -1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6648 0.5214 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4124 0.3879 2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9041 1.5241 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4426 -1.5439 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9040 -0.7296 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5928 0.3749 -1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6573 -2.2139 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1643 -1.2448 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9816 1.7416 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6242 2.5985 -0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5145 2.8010 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9815 -1.7809 -2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1564 -2.5946 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5749 -1.8114 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 3
4 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
3 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
3 16 1 0
5 17 1 0
5 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