hydroxy(pentylidene)oxidanium

C5H11O2+ — CID 134882234

IUPAChydroxy(pentylidene)oxidanium
SMILESCCCC/C=[O+]/O
InChIInChI=1S/C5H11O2/c1-2-3-4-5-7-6/h5-6H,2-4H2,1H3/q+1
InChIKeyOPVJEXFCHCAJJH-UHFFFAOYSA-N
MW103.14 g/mol
LogP1.38
Rot. Bonds3

About hydroxy(pentylidene)oxidanium

hydroxy(pentylidene)oxidanium (PubChem CID 134882234) has the molecular formula C5H11O2+ and a molecular weight of 103.14 g/mol. Its IUPAC name is hydroxy(pentylidene)oxidanium.

Molecular Properties

Compound Namehydroxy(pentylidene)oxidanium
PubChem CID134882234
Molecular FormulaC5H11O2+
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Namehydroxy(pentylidene)oxidanium
SMILESCCCC/C=[O+]/O
InChIInChI=1S/C5H11O2/c1-2-3-4-5-7-6/h5-6H,2-4H2,1H3/q+1
InChIKeyOPVJEXFCHCAJJH-UHFFFAOYSA-N
XLogP1.38
TPSA31.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hydroxy(pentylidene)oxidanium?
The IUPAC name of hydroxy(pentylidene)oxidanium (CID 134882234) is hydroxy(pentylidene)oxidanium.
What is the SMILES notation for hydroxy(pentylidene)oxidanium?
The canonical SMILES for hydroxy(pentylidene)oxidanium is CCCC/C=[O+]/O.
What is the InChIKey of hydroxy(pentylidene)oxidanium?
The InChIKey is OPVJEXFCHCAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2/c1-2-3-4-5-7-6/h5-6H,2-4H2,1H3/q+1.
What are the key properties of hydroxy(pentylidene)oxidanium?
hydroxy(pentylidene)oxidanium has a molecular weight of 103.14 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(pentylidene)oxidanium is sourced from PubChem (CID 134882234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).