Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
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
-3.4625 -0.3006 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4400 0.7297 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0238 0.2512 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6267 -0.2000 0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7978 -0.6662 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7886 0.4092 0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 -0.0984 0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9732 -0.1181 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4799 -0.5568 0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4623 0.1284 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3854 -1.2160 -0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6008 0.9994 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6436 1.6405 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3633 1.1048 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8404 -0.5609 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2549 -0.9744 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6962 0.6876 1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 -1.5243 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1038 -1.0483 1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7314 1.2448 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6209 0.7758 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 -0.4685 1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9859 -0.4846 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5833 0.2458 -1.4656 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 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers