CID 12055554

C9H13NSi — CID 12055554

IUPAC—
SMILESCC(C)N[Si]c1ccccc1
InChIInChI=1S/C9H13NSi/c1-8(2)10-11-9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyUNYJZMLLNYJNFC-UHFFFAOYSA-N
MW163.30 g/mol
LogP0.93
Rot. Bonds3

About CID 12055554

CID 12055554 (PubChem CID 12055554) has the molecular formula C9H13NSi and a molecular weight of 163.30 g/mol.

Molecular Properties

Compound NameCID 12055554
PubChem CID12055554
Molecular FormulaC9H13NSi
Molecular Weight163.30 g/mol
Exact Mass163.08
IUPAC Name—
SMILESCC(C)N[Si]c1ccccc1
InChIInChI=1S/C9H13NSi/c1-8(2)10-11-9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyUNYJZMLLNYJNFC-UHFFFAOYSA-N
XLogP0.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 12055554?
The IUPAC name of CID 12055554 (CID 12055554) is not available.
What is the SMILES notation for CID 12055554?
The canonical SMILES for CID 12055554 is CC(C)N[Si]c1ccccc1.
What is the InChIKey of CID 12055554?
The InChIKey is UNYJZMLLNYJNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NSi/c1-8(2)10-11-9-6-4-3-5-7-9/h3-8,10H,1-2H3.
What are the key properties of CID 12055554?
CID 12055554 has a molecular weight of 163.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12055554 is sourced from PubChem (CID 12055554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).