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
-3.6108 0.4649 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1584 0.2739 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5979 -0.8866 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1571 -1.1422 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7304 0.0403 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1493 -0.3738 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1261 0.6984 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8450 1.1851 0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9188 -0.2968 -0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2797 0.2398 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7794 1.4640 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1176 -0.0179 1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6190 1.2048 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1618 -1.8098 0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7124 -0.6968 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1873 -1.9727 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0482 -1.4552 1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 0.3102 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 0.9078 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3653 -1.2765 -0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1077 -0.7216 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2579 1.0936 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7021 0.7780 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5800 1.9892 0.7949 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