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
-3.4803 0.9971 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1353 0.6056 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6615 -0.6181 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3546 -1.1378 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7715 -0.1401 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 -0.7379 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1954 0.2434 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8546 0.6408 1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0299 1.6949 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0412 0.0527 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 1.4698 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3239 0.3689 1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4228 1.4420 0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4235 -1.4099 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6290 -0.4380 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0826 -2.0162 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -1.4979 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 0.7612 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8667 0.1559 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3086 -1.6095 -0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9787 -1.0759 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 0.6440 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6678 1.3578 1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5761 0.2474 2.1455 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