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
-3.0371 1.5738 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4552 0.1890 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 0.2784 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4475 -1.1234 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9634 -1.4371 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0066 -1.0290 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2475 0.3968 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4300 0.9669 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 1.6530 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3556 2.3701 0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3757 1.8161 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6567 -0.3192 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8474 -0.3481 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7593 0.8409 1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5949 0.8575 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0522 -1.6159 1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7828 -1.7067 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 -1.1732 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0140 -2.5853 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8813 -1.5987 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.4509 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5517 1.0736 -1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2185 0.3592 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5899 2.0121 -0.3981 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