CID 66894575

C16H22NOSSi — CID 66894575

IUPAC—
SMILESC[Si](C)c1c(-c2cccs2)ccc(OC(C)(C)C)c1N
InChIInChI=1S/C16H22NOSSi/c1-16(2,3)18-12-9-8-11(13-7-6-10-19-13)15(14(12)17)20(4)5/h6-10H,17H2,1-5H3
InChIKeyLBTKEBITHHFORV-UHFFFAOYSA-N
MW304.51 g/mol
LogP4.14
Rot. Bonds3

About CID 66894575

CID 66894575 (PubChem CID 66894575) has the molecular formula C16H22NOSSi and a molecular weight of 304.51 g/mol.

Molecular Properties

Compound NameCID 66894575
PubChem CID66894575
Molecular FormulaC16H22NOSSi
Molecular Weight304.51 g/mol
Exact Mass304.12
IUPAC Name—
SMILESC[Si](C)c1c(-c2cccs2)ccc(OC(C)(C)C)c1N
InChIInChI=1S/C16H22NOSSi/c1-16(2,3)18-12-9-8-11(13-7-6-10-19-13)15(14(12)17)20(4)5/h6-10H,17H2,1-5H3
InChIKeyLBTKEBITHHFORV-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 66894575?
The IUPAC name of CID 66894575 (CID 66894575) is not available.
What is the SMILES notation for CID 66894575?
The canonical SMILES for CID 66894575 is C[Si](C)c1c(-c2cccs2)ccc(OC(C)(C)C)c1N.
What is the InChIKey of CID 66894575?
The InChIKey is LBTKEBITHHFORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NOSSi/c1-16(2,3)18-12-9-8-11(13-7-6-10-19-13)15(14(12)17)20(4)5/h6-10H,17H2,1-5H3.
What are the key properties of CID 66894575?
CID 66894575 has a molecular weight of 304.51 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66894575 is sourced from PubChem (CID 66894575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).