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
-2.4195 1.5112 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6680 0.3090 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6233 -0.7632 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2341 -0.2743 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7235 -1.3951 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1534 -1.0539 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6720 0.0588 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1206 1.1780 0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3746 2.1077 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6527 2.1450 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1385 1.2600 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6477 -0.1507 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7281 0.6470 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8463 -1.6037 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6510 -1.1302 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0505 0.6104 -0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1855 0.0885 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4342 -2.2333 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6623 -1.7263 -0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3181 -0.8162 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7620 -1.9565 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6646 -0.0940 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5047 2.0096 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1034 1.2722 1.3558 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