cyclohexen-1-yloxy(oxo)oxidanium

C6H9O3+ — CID 91252264

IUPACcyclohexen-1-yloxy(oxo)oxidanium
SMILESO=[O+]OC1=CCCCC1
InChIInChI=1S/C6H9O3/c7-9-8-6-4-2-1-3-5-6/h4H,1-3,5H2/q+1
InChIKeyKSLIHXFUWYUZID-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.99
Rot. Bonds2

About cyclohexen-1-yloxy(oxo)oxidanium

cyclohexen-1-yloxy(oxo)oxidanium (PubChem CID 91252264) has the molecular formula C6H9O3+ and a molecular weight of 129.14 g/mol. Its IUPAC name is cyclohexen-1-yloxy(oxo)oxidanium.

Molecular Properties

Compound Namecyclohexen-1-yloxy(oxo)oxidanium
PubChem CID91252264
Molecular FormulaC6H9O3+
Molecular Weight129.14 g/mol
Exact Mass129.05
IUPAC Namecyclohexen-1-yloxy(oxo)oxidanium
SMILESO=[O+]OC1=CCCCC1
InChIInChI=1S/C6H9O3/c7-9-8-6-4-2-1-3-5-6/h4H,1-3,5H2/q+1
InChIKeyKSLIHXFUWYUZID-UHFFFAOYSA-N
XLogP1.99
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yloxy(oxo)oxidanium?
The IUPAC name of cyclohexen-1-yloxy(oxo)oxidanium (CID 91252264) is cyclohexen-1-yloxy(oxo)oxidanium.
What is the SMILES notation for cyclohexen-1-yloxy(oxo)oxidanium?
The canonical SMILES for cyclohexen-1-yloxy(oxo)oxidanium is O=[O+]OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yloxy(oxo)oxidanium?
The InChIKey is KSLIHXFUWYUZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O3/c7-9-8-6-4-2-1-3-5-6/h4H,1-3,5H2/q+1.
What are the key properties of cyclohexen-1-yloxy(oxo)oxidanium?
cyclohexen-1-yloxy(oxo)oxidanium has a molecular weight of 129.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yloxy(oxo)oxidanium is sourced from PubChem (CID 91252264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).