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
-3.9827 -0.1155 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6578 0.5513 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5193 -0.4410 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2625 0.3704 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9597 -0.5133 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1439 0.4306 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4000 -0.3443 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3777 -0.1165 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3156 0.0888 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7146 0.3586 -0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9749 -1.1934 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4239 1.2392 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6430 1.1356 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4052 -1.0361 1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6739 -1.1723 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1404 1.0380 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3882 0.9643 -1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8690 -1.1129 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1030 -1.1277 0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9956 0.9620 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2187 1.1894 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4992 -1.0868 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2451 0.6227 1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2900 -0.6914 0.1618 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