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
3.6538 -0.2617 0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 -0.4117 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5865 0.9343 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2091 0.8633 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7086 -0.0612 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0493 -0.0240 -0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0440 -0.9128 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1554 -0.3863 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5361 -0.1611 1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2485 -1.1519 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0942 0.6739 0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3685 -0.7425 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6640 -1.1159 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5784 1.2809 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2455 1.6408 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1740 1.8905 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3107 0.4578 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8822 0.2935 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3198 -1.0953 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8642 -0.4564 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4121 1.0030 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9087 -1.9820 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3110 0.6770 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9388 -0.9520 1.2927 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