Monomers
Methyl 2-methylidenehexanoate
Identifiers
IUPAC name
methyl 2-methylidenehexanoate
InchI
InChI=1S/C8H14O2/c1-4-5-6-7(2)8(9)10-3/h2,4-6H2,1,3H3
InchI Key
USUBUUXHLGKOHN-UHFFFAOYSA-N
SMILES
CCCCC(=C)C(=O)OC
Canonical SMILES
CCCCC(=C)C(=O)OC
Isomeric SMILES
CCCCC(=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
1.9058
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
2.9886 -0.8933 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 -0.4811 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3825 0.9125 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3362 1.1799 -1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7575 0.2025 -1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9870 -0.5418 -2.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 0.0916 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3509 0.8103 1.2299 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6300 -0.8083 0.3207 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4071 -0.9029 1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9695 -1.0718 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 -1.8739 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1572 -0.1526 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4080 -0.4453 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0816 -1.1677 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2228 1.6011 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9669 0.9393 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8149 1.2927 -1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1019 2.1852 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7870 -1.2500 -2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3863 -0.4463 -2.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0189 -1.6228 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4432 -1.2071 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5289 0.0821 1.9981 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 1 0
5 6 2 3
5 7 1 0
7 8 2 0
7 9 1 0
9 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
3 17 1 0
4 18 1 0
4 19 1 0
6 20 1 0
6 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