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
-3.3050 0.0692 0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9946 0.7722 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8382 -0.2039 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4523 0.4465 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4776 1.7270 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7177 -0.2701 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7766 -1.5067 0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9227 0.3523 0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1787 -0.3012 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0286 -1.3122 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6783 -0.3919 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2447 -0.6358 1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0365 0.8755 0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0984 1.2096 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8445 1.5968 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8672 -0.6597 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4399 2.2931 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4515 2.2002 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2930 -0.8653 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3491 -0.9618 -0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9461 0.5188 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5525 -1.1290 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0864 -1.5849 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5504 -2.2386 -0.1122 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