CID 87098764

C7H16O3SSi — CID 87098764

IUPAC—
SMILESCCOC(OCC)O[Si]CCS
InChIInChI=1S/C7H16O3SSi/c1-3-8-7(9-4-2)10-12-6-5-11/h7,11H,3-6H2,1-2H3
InChIKeyBXUKJEXAWODUED-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.33
Rot. Bonds8

About CID 87098764

CID 87098764 (PubChem CID 87098764) has the molecular formula C7H16O3SSi and a molecular weight of 208.35 g/mol.

Molecular Properties

Compound NameCID 87098764
PubChem CID87098764
Molecular FormulaC7H16O3SSi
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name—
SMILESCCOC(OCC)O[Si]CCS
InChIInChI=1S/C7H16O3SSi/c1-3-8-7(9-4-2)10-12-6-5-11/h7,11H,3-6H2,1-2H3
InChIKeyBXUKJEXAWODUED-UHFFFAOYSA-N
XLogP1.33
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.33
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 87098764?
The IUPAC name of CID 87098764 (CID 87098764) is not available.
What is the SMILES notation for CID 87098764?
The canonical SMILES for CID 87098764 is CCOC(OCC)O[Si]CCS.
What is the InChIKey of CID 87098764?
The InChIKey is BXUKJEXAWODUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3SSi/c1-3-8-7(9-4-2)10-12-6-5-11/h7,11H,3-6H2,1-2H3.
What are the key properties of CID 87098764?
CID 87098764 has a molecular weight of 208.35 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87098764 is sourced from PubChem (CID 87098764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).