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
2.5173 1.7109 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9678 0.3744 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6839 0.7425 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0455 -0.4697 -1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2734 -1.4628 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2041 -0.8945 0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4793 -0.4837 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9002 0.7654 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5050 1.5607 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7448 2.0644 1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5964 2.3683 -0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7171 -0.0529 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8145 -0.3227 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0072 1.2412 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9350 1.4862 -1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 -0.8931 -1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8768 -0.2276 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -1.8502 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 -2.3155 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4761 -1.7103 1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7511 -0.0482 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0839 -1.2140 -0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2992 1.5036 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8158 1.0813 -0.2240 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