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
-3.9958 0.1238 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6529 0.6362 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5350 -0.3124 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 0.2727 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9552 -0.5490 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1686 0.1343 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4185 -0.5721 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3862 0.0381 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1310 0.5593 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8274 0.4750 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0176 -0.9775 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6831 0.5498 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4559 1.6668 0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5345 -0.4068 1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 -1.2819 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1294 1.3159 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3346 0.2680 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 -1.5498 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0733 -0.7454 1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0698 0.2181 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 1.1616 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5341 -1.5815 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3041 -0.4922 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3206 1.0493 0.8406 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