CID 59102159

C4H7AuO2Se — CID 59102159

IUPAC—
SMILESCC([Se])CC(=O)O.[Au]
InChIInChI=1S/C4H7O2Se.Au/c1-3(7)2-4(5)6;/h3H,2H2,1H3,(H,5,6);
InChIKeyXOEPAWVUZQBBAN-UHFFFAOYSA-N
MW363.03 g/mol
LogP0.44
Rot. Bonds2

About CID 59102159

CID 59102159 (PubChem CID 59102159) has the molecular formula C4H7AuO2Se and a molecular weight of 363.03 g/mol.

Molecular Properties

Compound NameCID 59102159
PubChem CID59102159
Molecular FormulaC4H7AuO2Se
Molecular Weight363.03 g/mol
Exact Mass363.93
IUPAC Name—
SMILESCC([Se])CC(=O)O.[Au]
InChIInChI=1S/C4H7O2Se.Au/c1-3(7)2-4(5)6;/h3H,2H2,1H3,(H,5,6);
InChIKeyXOEPAWVUZQBBAN-UHFFFAOYSA-N
XLogP0.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.03
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutanoic acid
CID 20849036
CID 59102127
CID 59102127
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
(3S)-3-methoxybutanoic acid
CID 51374275
dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
CID 87534592
strontium;hydride;3-methylpentanedioic acid
CID 173490798
hydrazine;3-methylbutanoic acid
CID 175217584
CID 90459779
CID 90459779
(3S)-3-methyl-4-oxopentanoic acid
CID 12576879
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884

Frequently Asked Questions

What is the IUPAC name of CID 59102159?
The IUPAC name of CID 59102159 (CID 59102159) is not available.
What is the SMILES notation for CID 59102159?
The canonical SMILES for CID 59102159 is CC([Se])CC(=O)O.[Au].
What is the InChIKey of CID 59102159?
The InChIKey is XOEPAWVUZQBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2Se.Au/c1-3(7)2-4(5)6;/h3H,2H2,1H3,(H,5,6);.
What are the key properties of CID 59102159?
CID 59102159 has a molecular weight of 363.03 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102159 is sourced from PubChem (CID 59102159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).