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
-3.3415 -0.8967 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8778 0.4793 -0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 0.5364 -0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4880 0.0327 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 0.1569 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9141 -0.3400 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2883 -0.2295 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2126 0.5165 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3030 -1.1587 -0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5233 -1.0010 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6104 -1.6557 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0879 1.1898 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4891 0.8475 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1894 1.5521 -1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3399 -0.1487 -1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6269 -1.0489 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 0.6129 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1585 1.1932 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0178 -0.4408 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6931 -1.4091 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8649 0.2964 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5688 -0.7626 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9771 1.0662 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2185 0.6116 0.2204 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