5-oxopentylideneoxidanium

C5H9O2+ — CID 134861881

IUPAC5-oxopentylideneoxidanium
SMILES[H]/[O+]=C/CCCC=O
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2/p+1
InChIKeySXRSQZLOMIGNAQ-UHFFFAOYSA-O
MW101.12 g/mol
LogP0.53
Rot. Bonds4

About 5-oxopentylideneoxidanium

5-oxopentylideneoxidanium (PubChem CID 134861881) has the molecular formula C5H9O2+ and a molecular weight of 101.12 g/mol. Its IUPAC name is 5-oxopentylideneoxidanium.

Molecular Properties

Compound Name5-oxopentylideneoxidanium
PubChem CID134861881
Molecular FormulaC5H9O2+
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name5-oxopentylideneoxidanium
SMILES[H]/[O+]=C/CCCC=O
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2/p+1
InChIKeySXRSQZLOMIGNAQ-UHFFFAOYSA-O
XLogP0.53
TPSA38.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.53
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxopentylideneoxidanium?
The IUPAC name of 5-oxopentylideneoxidanium (CID 134861881) is 5-oxopentylideneoxidanium.
What is the SMILES notation for 5-oxopentylideneoxidanium?
The canonical SMILES for 5-oxopentylideneoxidanium is [H]/[O+]=C/CCCC=O.
What is the InChIKey of 5-oxopentylideneoxidanium?
The InChIKey is SXRSQZLOMIGNAQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2/p+1.
What are the key properties of 5-oxopentylideneoxidanium?
5-oxopentylideneoxidanium has a molecular weight of 101.12 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopentylideneoxidanium is sourced from PubChem (CID 134861881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).