CID 67587756

C21H28OSSi — CID 67587756

IUPAC—
SMILESCCCCc1cccc([Si]CSc2ccccc2O)c1CCCC
InChIInChI=1S/C21H28OSSi/c1-3-5-10-17-11-9-15-21(18(17)12-6-4-2)24-16-23-20-14-8-7-13-19(20)22/h7-9,11,13-15,22H,3-6,10,12,16H2,1-2H3
InChIKeyRSCVWGRIBQJUEI-UHFFFAOYSA-N
MW356.61 g/mol
LogP5.16
Rot. Bonds10

About CID 67587756

CID 67587756 (PubChem CID 67587756) has the molecular formula C21H28OSSi and a molecular weight of 356.61 g/mol.

Molecular Properties

Compound NameCID 67587756
PubChem CID67587756
Molecular FormulaC21H28OSSi
Molecular Weight356.61 g/mol
Exact Mass356.16
IUPAC Name—
SMILESCCCCc1cccc([Si]CSc2ccccc2O)c1CCCC
InChIInChI=1S/C21H28OSSi/c1-3-5-10-17-11-9-15-21(18(17)12-6-4-2)24-16-23-20-14-8-7-13-19(20)22/h7-9,11,13-15,22H,3-6,10,12,16H2,1-2H3
InChIKeyRSCVWGRIBQJUEI-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 67587756?
The IUPAC name of CID 67587756 (CID 67587756) is not available.
What is the SMILES notation for CID 67587756?
The canonical SMILES for CID 67587756 is CCCCc1cccc([Si]CSc2ccccc2O)c1CCCC.
What is the InChIKey of CID 67587756?
The InChIKey is RSCVWGRIBQJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28OSSi/c1-3-5-10-17-11-9-15-21(18(17)12-6-4-2)24-16-23-20-14-8-7-13-19(20)22/h7-9,11,13-15,22H,3-6,10,12,16H2,1-2H3.
What are the key properties of CID 67587756?
CID 67587756 has a molecular weight of 356.61 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67587756 is sourced from PubChem (CID 67587756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).