CID 59483269

C6H14O3SSi — CID 59483269

IUPAC—
SMILESCOCOCO[Si]CCCS
InChIInChI=1S/C6H14O3SSi/c1-7-5-8-6-9-11-4-2-3-10/h10H,2-6H2,1H3
InChIKeyFBCPFSSQYWHDLY-UHFFFAOYSA-N
MW194.33 g/mol
LogP0.94
Rot. Bonds8

About CID 59483269

CID 59483269 (PubChem CID 59483269) has the molecular formula C6H14O3SSi and a molecular weight of 194.33 g/mol.

Molecular Properties

Compound NameCID 59483269
PubChem CID59483269
Molecular FormulaC6H14O3SSi
Molecular Weight194.33 g/mol
Exact Mass194.04
IUPAC Name—
SMILESCOCOCO[Si]CCCS
InChIInChI=1S/C6H14O3SSi/c1-7-5-8-6-9-11-4-2-3-10/h10H,2-6H2,1H3
InChIKeyFBCPFSSQYWHDLY-UHFFFAOYSA-N
XLogP0.94
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59483269?
The IUPAC name of CID 59483269 (CID 59483269) is not available.
What is the SMILES notation for CID 59483269?
The canonical SMILES for CID 59483269 is COCOCO[Si]CCCS.
What is the InChIKey of CID 59483269?
The InChIKey is FBCPFSSQYWHDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3SSi/c1-7-5-8-6-9-11-4-2-3-10/h10H,2-6H2,1H3.
What are the key properties of CID 59483269?
CID 59483269 has a molecular weight of 194.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483269 is sourced from PubChem (CID 59483269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).