cyclooctane-1,2,3,4,5,6,7,8-octone

C8O8 — CID 162758544

IUPACcyclooctane-1,2,3,4,5,6,7,8-octone
SMILESO=C1C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C1=O
InChIInChI=1S/C8O8/c9-1-2(10)4(12)6(14)8(16)7(15)5(13)3(1)11
InChIKeyGXUMRHHUNQMBRZ-UHFFFAOYSA-N
MW224.08 g/mol
LogP-3.45
Rot. Bonds

About cyclooctane-1,2,3,4,5,6,7,8-octone

cyclooctane-1,2,3,4,5,6,7,8-octone (PubChem CID 162758544) has the molecular formula C8O8 and a molecular weight of 224.08 g/mol. Its IUPAC name is cyclooctane-1,2,3,4,5,6,7,8-octone.

Molecular Properties

Compound Namecyclooctane-1,2,3,4,5,6,7,8-octone
PubChem CID162758544
Molecular FormulaC8O8
Molecular Weight224.08 g/mol
Exact Mass223.96
IUPAC Namecyclooctane-1,2,3,4,5,6,7,8-octone
SMILESO=C1C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C1=O
InChIInChI=1S/C8O8/c9-1-2(10)4(12)6(14)8(16)7(15)5(13)3(1)11
InChIKeyGXUMRHHUNQMBRZ-UHFFFAOYSA-N
XLogP-3.45
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 5-3.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclooctane-1,2,3,4,5,6,7,8-octone?
The IUPAC name of cyclooctane-1,2,3,4,5,6,7,8-octone (CID 162758544) is cyclooctane-1,2,3,4,5,6,7,8-octone.
What is the SMILES notation for cyclooctane-1,2,3,4,5,6,7,8-octone?
The canonical SMILES for cyclooctane-1,2,3,4,5,6,7,8-octone is O=C1C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C1=O.
What is the InChIKey of cyclooctane-1,2,3,4,5,6,7,8-octone?
The InChIKey is GXUMRHHUNQMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8O8/c9-1-2(10)4(12)6(14)8(16)7(15)5(13)3(1)11.
What are the key properties of cyclooctane-1,2,3,4,5,6,7,8-octone?
cyclooctane-1,2,3,4,5,6,7,8-octone has a molecular weight of 224.08 g/mol, XLogP of -3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctane-1,2,3,4,5,6,7,8-octone is sourced from PubChem (CID 162758544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).