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
-4.0406 -0.2370 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7341 0.4289 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5433 -0.3281 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3104 0.4371 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9152 -0.1987 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7993 -1.2684 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2164 0.3755 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3364 1.4075 0.6660 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4045 -0.1774 -0.5235 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6479 0.4038 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9754 -1.3448 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7998 0.1303 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3615 0.0998 -1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6121 0.4403 1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7113 1.4312 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 -0.2930 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5307 -1.3745 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3424 1.4834 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2126 0.4322 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6909 -1.7284 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1529 -1.6993 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4173 -0.3912 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8352 1.2433 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6919 0.7277 0.8595 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