CID 21461694

C9H11Si3 — CID 21461694

IUPAC—
SMILESCc1cc(C)c([Si]([Si])[Si])c(C)c1
InChIInChI=1S/C9H11Si3/c1-6-4-7(2)9(12(10)11)8(3)5-6/h4-5H,1-3H3
InChIKeyTUCOTIGNIULJRD-UHFFFAOYSA-N
MW203.44 g/mol
LogP0.64
Rot. Bonds1

About CID 21461694

CID 21461694 (PubChem CID 21461694) has the molecular formula C9H11Si3 and a molecular weight of 203.44 g/mol.

Molecular Properties

Compound NameCID 21461694
PubChem CID21461694
Molecular FormulaC9H11Si3
Molecular Weight203.44 g/mol
Exact Mass203.02
IUPAC Name—
SMILESCc1cc(C)c([Si]([Si])[Si])c(C)c1
InChIInChI=1S/C9H11Si3/c1-6-4-7(2)9(12(10)11)8(3)5-6/h4-5H,1-3H3
InChIKeyTUCOTIGNIULJRD-UHFFFAOYSA-N
XLogP0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.44
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 21461694?
The IUPAC name of CID 21461694 (CID 21461694) is not available.
What is the SMILES notation for CID 21461694?
The canonical SMILES for CID 21461694 is Cc1cc(C)c([Si]([Si])[Si])c(C)c1.
What is the InChIKey of CID 21461694?
The InChIKey is TUCOTIGNIULJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Si3/c1-6-4-7(2)9(12(10)11)8(3)5-6/h4-5H,1-3H3.
What are the key properties of CID 21461694?
CID 21461694 has a molecular weight of 203.44 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21461694 is sourced from PubChem (CID 21461694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).