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
-1.6999 1.6726 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0597 0.4114 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2061 -0.7751 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2080 -0.6190 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6166 -1.1411 -1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 0.0481 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9237 0.5448 1.2693 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5078 0.1356 -0.2996 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5578 0.7694 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3592 -1.4696 1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7722 2.0808 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5676 1.5952 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4975 2.4162 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1377 0.1926 -0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1289 0.6139 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6181 -1.5594 -0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6340 -1.0544 -2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 -1.6578 -2.3955 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3432 1.0190 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0051 0.1228 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2498 1.7185 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4924 -0.7756 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4242 -2.0811 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1885 -2.2077 1.1400 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