CID 88694739

C3H9AlOSSi — CID 88694739

IUPAC—
SMILESO.[Al].[Si]CCCS
InChIInChI=1S/C3H7SSi.Al.H2O/c4-2-1-3-5;;/h4H,1-3H2;;1H2
InChIKeyZVDBJEWKZXHCGE-UHFFFAOYSA-N
MW148.24 g/mol
LogP-0.31
Rot. Bonds2

About CID 88694739

CID 88694739 (PubChem CID 88694739) has the molecular formula C3H9AlOSSi and a molecular weight of 148.24 g/mol.

Molecular Properties

Compound NameCID 88694739
PubChem CID88694739
Molecular FormulaC3H9AlOSSi
Molecular Weight148.24 g/mol
Exact Mass148.00
IUPAC Name—
SMILESO.[Al].[Si]CCCS
InChIInChI=1S/C3H7SSi.Al.H2O/c4-2-1-3-5;;/h4H,1-3H2;;1H2
InChIKeyZVDBJEWKZXHCGE-UHFFFAOYSA-N
XLogP-0.31
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88694739?
The IUPAC name of CID 88694739 (CID 88694739) is not available.
What is the SMILES notation for CID 88694739?
The canonical SMILES for CID 88694739 is O.[Al].[Si]CCCS.
What is the InChIKey of CID 88694739?
The InChIKey is ZVDBJEWKZXHCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7SSi.Al.H2O/c4-2-1-3-5;;/h4H,1-3H2;;1H2.
What are the key properties of CID 88694739?
CID 88694739 has a molecular weight of 148.24 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88694739 is sourced from PubChem (CID 88694739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).