CID 69449546

C13H20ClNOSi — CID 69449546

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H20ClNOSi/c1-12(2,3)17-16-13(4,5)9-6-7-11(15)10(14)8-9/h6-8H,15H2,1-5H3
InChIKeyQLZLZUBCNGQTDC-UHFFFAOYSA-N
MW269.85 g/mol
LogP4.01
Rot. Bonds3

About CID 69449546

CID 69449546 (PubChem CID 69449546) has the molecular formula C13H20ClNOSi and a molecular weight of 269.85 g/mol.

Molecular Properties

Compound NameCID 69449546
PubChem CID69449546
Molecular FormulaC13H20ClNOSi
Molecular Weight269.85 g/mol
Exact Mass269.10
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H20ClNOSi/c1-12(2,3)17-16-13(4,5)9-6-7-11(15)10(14)8-9/h6-8H,15H2,1-5H3
InChIKeyQLZLZUBCNGQTDC-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 69449546?
The IUPAC name of CID 69449546 (CID 69449546) is not available.
What is the SMILES notation for CID 69449546?
The canonical SMILES for CID 69449546 is CC(C)(C)[Si]OC(C)(C)c1ccc(N)c(Cl)c1.
What is the InChIKey of CID 69449546?
The InChIKey is QLZLZUBCNGQTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOSi/c1-12(2,3)17-16-13(4,5)9-6-7-11(15)10(14)8-9/h6-8H,15H2,1-5H3.
What are the key properties of CID 69449546?
CID 69449546 has a molecular weight of 269.85 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69449546 is sourced from PubChem (CID 69449546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).