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
3.7143 1.0607 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6463 0.1184 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3095 0.5815 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2675 -0.3837 -0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1154 -0.0627 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0387 -1.1224 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4267 -0.8803 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7257 0.1222 0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9869 0.7498 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5901 0.9541 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3238 2.0873 0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 0.1169 -1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8021 -0.9216 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3922 0.5659 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0996 1.5835 -0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 -0.2804 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5152 -1.4285 -0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4364 0.9211 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1532 -0.1041 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9070 -1.0540 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6959 -2.1378 -0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1893 -1.5651 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9741 0.8075 1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7756 0.2717 1.0589 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