gold(1+);5-oxopentanal

C5H7AuO2 — CID 175258008

IUPACgold(1+);5-oxopentanal
SMILESO=[C-]CCCC=O.[Au+]
InChIInChI=1S/C5H7O2.Au/c6-4-2-1-3-5-7;/h4H,1-3H2;/q-1;+1
InChIKeyIBXOFSOWTFJGCR-UHFFFAOYSA-N
MW296.08 g/mol
LogP0.46
Rot. Bonds4

About gold(1+);5-oxopentanal

gold(1+);5-oxopentanal (PubChem CID 175258008) has the molecular formula C5H7AuO2 and a molecular weight of 296.08 g/mol. Its IUPAC name is gold(1+);5-oxopentanal.

Molecular Properties

Compound Namegold(1+);5-oxopentanal
PubChem CID175258008
Molecular FormulaC5H7AuO2
Molecular Weight296.08 g/mol
Exact Mass296.01
IUPAC Namegold(1+);5-oxopentanal
SMILESO=[C-]CCCC=O.[Au+]
InChIInChI=1S/C5H7O2.Au/c6-4-2-1-3-5-7;/h4H,1-3H2;/q-1;+1
InChIKeyIBXOFSOWTFJGCR-UHFFFAOYSA-N
XLogP0.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of gold(1+);5-oxopentanal?
The IUPAC name of gold(1+);5-oxopentanal (CID 175258008) is gold(1+);5-oxopentanal.
What is the SMILES notation for gold(1+);5-oxopentanal?
The canonical SMILES for gold(1+);5-oxopentanal is O=[C-]CCCC=O.[Au+].
What is the InChIKey of gold(1+);5-oxopentanal?
The InChIKey is IBXOFSOWTFJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.Au/c6-4-2-1-3-5-7;/h4H,1-3H2;/q-1;+1.
What are the key properties of gold(1+);5-oxopentanal?
gold(1+);5-oxopentanal has a molecular weight of 296.08 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);5-oxopentanal is sourced from PubChem (CID 175258008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).