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
-3.8852 0.2559 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7249 -0.4114 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4532 0.2096 0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 -0.4424 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9936 0.1383 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1271 -0.5538 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4443 -0.0461 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2639 0.5420 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8173 -0.3220 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5971 0.3066 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0036 1.2777 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7298 -1.5076 0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7808 -0.0963 -1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4821 1.3004 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3656 0.0313 1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2896 -1.5246 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3646 -0.3375 -1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0356 -0.0698 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0069 1.2440 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 -0.3675 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0113 -1.6378 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7103 -0.1635 1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2235 0.9116 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0120 0.6700 -1.8792 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