CID 58741507

C6H12O7S2Si8 — CID 58741507

IUPAC—
SMILES[Si]OO[Si](CCCSSCCC[Si](O[Si])(O[Si])O[Si])(O[Si])O[Si]
InChIInChI=1S/C6H12O7S2Si8/c16-7-8-22(9-17,10-18)5-1-3-14-15-4-2-6-23(11-19,12-20)13-21/h1-6H2
InChIKeyKWFIFAHUCWGHKI-UHFFFAOYSA-N
MW484.98 g/mol
LogP-0.44
Rot. Bonds16

About CID 58741507

CID 58741507 (PubChem CID 58741507) has the molecular formula C6H12O7S2Si8 and a molecular weight of 484.98 g/mol.

Molecular Properties

Compound NameCID 58741507
PubChem CID58741507
Molecular FormulaC6H12O7S2Si8
Molecular Weight484.98 g/mol
Exact Mass483.82
IUPAC Name—
SMILES[Si]OO[Si](CCCSSCCC[Si](O[Si])(O[Si])O[Si])(O[Si])O[Si]
InChIInChI=1S/C6H12O7S2Si8/c16-7-8-22(9-17,10-18)5-1-3-14-15-4-2-6-23(11-19,12-20)13-21/h1-6H2
InChIKeyKWFIFAHUCWGHKI-UHFFFAOYSA-N
XLogP-0.44
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 CID 58741507?
The IUPAC name of CID 58741507 (CID 58741507) is not available.
What is the SMILES notation for CID 58741507?
The canonical SMILES for CID 58741507 is [Si]OO[Si](CCCSSCCC[Si](O[Si])(O[Si])O[Si])(O[Si])O[Si].
What is the InChIKey of CID 58741507?
The InChIKey is KWFIFAHUCWGHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O7S2Si8/c16-7-8-22(9-17,10-18)5-1-3-14-15-4-2-6-23(11-19,12-20)13-21/h1-6H2.
What are the key properties of CID 58741507?
CID 58741507 has a molecular weight of 484.98 g/mol, XLogP of -0.44, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58741507 is sourced from PubChem (CID 58741507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).