cyclohexyloxidanium

C6H13O+ — CID 14004324

IUPACcyclohexyloxidanium
SMILES[OH2+]C1CCCCC1
InChIInChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/p+1
InChIKeyHPXRVTGHNJAIIH-UHFFFAOYSA-O
MW101.17 g/mol
LogP1.04
Rot. Bonds

About cyclohexyloxidanium

cyclohexyloxidanium (PubChem CID 14004324) has the molecular formula C6H13O+ and a molecular weight of 101.17 g/mol. Its IUPAC name is cyclohexyloxidanium.

Molecular Properties

Compound Namecyclohexyloxidanium
PubChem CID14004324
Molecular FormulaC6H13O+
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Namecyclohexyloxidanium
SMILES[OH2+]C1CCCCC1
InChIInChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/p+1
InChIKeyHPXRVTGHNJAIIH-UHFFFAOYSA-O
XLogP1.04
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxidanium?
The IUPAC name of cyclohexyloxidanium (CID 14004324) is cyclohexyloxidanium.
What is the SMILES notation for cyclohexyloxidanium?
The canonical SMILES for cyclohexyloxidanium is [OH2+]C1CCCCC1.
What is the InChIKey of cyclohexyloxidanium?
The InChIKey is HPXRVTGHNJAIIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/p+1.
What are the key properties of cyclohexyloxidanium?
cyclohexyloxidanium has a molecular weight of 101.17 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxidanium is sourced from PubChem (CID 14004324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).