cyclooctane

C8H16 — CID 9266

IUPACcyclooctane
SMILESC1CCCCCCC1
InChIInChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
InChIKeyWJTCGQSWYFHTAC-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.12
Rot. Bonds

About cyclooctane

cyclooctane (PubChem CID 9266) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is cyclooctane.

Molecular Properties

Compound Namecyclooctane
PubChem CID9266
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namecyclooctane
SMILESC1CCCCCCC1
InChIInChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
InChIKeyWJTCGQSWYFHTAC-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclooctane?
The IUPAC name of cyclooctane (CID 9266) is cyclooctane.
What is the SMILES notation for cyclooctane?
The canonical SMILES for cyclooctane is C1CCCCCCC1.
What is the InChIKey of cyclooctane?
The InChIKey is WJTCGQSWYFHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2.
What are the key properties of cyclooctane?
cyclooctane has a molecular weight of 112.22 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctane is sourced from PubChem (CID 9266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).