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
-2.8414 1.1047 0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3776 0.7984 -0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4055 -0.3411 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1514 -0.0770 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7929 -1.2175 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0732 -1.0859 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0115 -0.0640 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9366 0.6508 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2102 1.8565 1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8625 0.1241 1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8712 1.5134 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9309 1.6694 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2696 0.5093 -1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9009 -1.2307 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1666 -0.5133 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3026 0.8544 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5075 0.0949 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2691 -2.1191 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9530 -1.4957 -1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 -1.0252 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6087 -2.0837 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8645 0.1355 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6947 1.4216 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1613 0.5200 -1.5623 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