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
-3.6200 -0.7803 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3804 -0.0727 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2205 -1.0161 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 -0.4234 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5188 0.7733 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8259 1.2669 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 0.2442 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0338 0.4383 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5266 -1.1481 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5048 -0.1088 0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7737 -1.6778 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1799 0.7498 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5771 0.3065 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1639 -1.4327 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4492 -1.8771 -0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0161 -0.1786 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8531 -1.2140 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1918 1.5926 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7392 0.4859 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6964 1.5331 -1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1656 2.1592 0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7986 -0.7195 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1647 1.3827 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8329 -0.2834 0.5420 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