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
-3.0139 1.3769 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1857 0.4340 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0501 -0.0529 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1584 -1.0082 0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9566 -1.4947 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0883 -2.7747 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9211 -0.5672 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8764 -0.9667 -1.3189 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8316 0.8070 -0.3819 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7794 1.6726 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4326 2.3392 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0294 1.5306 0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9952 0.9800 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7046 0.9911 1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7760 -0.4321 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5018 0.8475 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4996 -0.5305 -0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2851 -0.4343 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7559 -1.8386 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3688 -3.4935 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9107 -3.1448 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6855 2.6890 -0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5944 1.7622 -2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8053 1.3083 -0.8018 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