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
-3.4774 0.1373 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5409 -0.4327 -0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1479 -0.6188 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5455 0.6651 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8366 0.4148 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 -0.1769 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0982 -0.3534 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1930 0.2528 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2220 -0.1630 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5421 -0.1692 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5002 1.2636 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9222 -1.4489 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5216 0.1581 -1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1573 -1.3293 0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4965 -1.0710 -1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1508 1.0724 1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5048 1.4438 -0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2311 1.3563 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7116 -0.3672 1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4763 -1.1707 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9402 0.5309 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1770 -0.9881 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1144 0.1020 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1614 0.8922 -0.8601 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