CID 67272469

C13H22NO2Si — CID 67272469

IUPAC—
SMILESC[Si](C)OC(c1cccnc1CO)C(C)(C)C
InChIInChI=1S/C13H22NO2Si/c1-13(2,3)12(16-17(4)5)10-7-6-8-14-11(10)9-15/h6-8,12,15H,9H2,1-5H3
InChIKeyRSAWRLJRUNRHLF-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.93
Rot. Bonds4

About CID 67272469

CID 67272469 (PubChem CID 67272469) has the molecular formula C13H22NO2Si and a molecular weight of 252.41 g/mol.

Molecular Properties

Compound NameCID 67272469
PubChem CID67272469
Molecular FormulaC13H22NO2Si
Molecular Weight252.41 g/mol
Exact Mass252.14
IUPAC Name—
SMILESC[Si](C)OC(c1cccnc1CO)C(C)(C)C
InChIInChI=1S/C13H22NO2Si/c1-13(2,3)12(16-17(4)5)10-7-6-8-14-11(10)9-15/h6-8,12,15H,9H2,1-5H3
InChIKeyRSAWRLJRUNRHLF-UHFFFAOYSA-N
XLogP2.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67272469?
The IUPAC name of CID 67272469 (CID 67272469) is not available.
What is the SMILES notation for CID 67272469?
The canonical SMILES for CID 67272469 is C[Si](C)OC(c1cccnc1CO)C(C)(C)C.
What is the InChIKey of CID 67272469?
The InChIKey is RSAWRLJRUNRHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO2Si/c1-13(2,3)12(16-17(4)5)10-7-6-8-14-11(10)9-15/h6-8,12,15H,9H2,1-5H3.
What are the key properties of CID 67272469?
CID 67272469 has a molecular weight of 252.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67272469 is sourced from PubChem (CID 67272469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).