CID 68803253

C11H18MgSi — CID 68803253

IUPAC—
SMILESCc1ccc([Si](C)(C)C)cc1C.[Mg]
InChIInChI=1S/C11H18Si.Mg/c1-9-6-7-11(8-10(9)2)12(3,4)5;/h6-8H,1-5H3;
InChIKeyDSBORDWITHGSMC-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.47
Rot. Bonds1

About CID 68803253

CID 68803253 (PubChem CID 68803253) has the molecular formula C11H18MgSi and a molecular weight of 202.66 g/mol.

Molecular Properties

Compound NameCID 68803253
PubChem CID68803253
Molecular FormulaC11H18MgSi
Molecular Weight202.66 g/mol
Exact Mass202.10
IUPAC Name—
SMILESCc1ccc([Si](C)(C)C)cc1C.[Mg]
InChIInChI=1S/C11H18Si.Mg/c1-9-6-7-11(8-10(9)2)12(3,4)5;/h6-8H,1-5H3;
InChIKeyDSBORDWITHGSMC-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.47
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 68803253?
The IUPAC name of CID 68803253 (CID 68803253) is not available.
What is the SMILES notation for CID 68803253?
The canonical SMILES for CID 68803253 is Cc1ccc([Si](C)(C)C)cc1C.[Mg].
What is the InChIKey of CID 68803253?
The InChIKey is DSBORDWITHGSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Si.Mg/c1-9-6-7-11(8-10(9)2)12(3,4)5;/h6-8H,1-5H3;.
What are the key properties of CID 68803253?
CID 68803253 has a molecular weight of 202.66 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68803253 is sourced from PubChem (CID 68803253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).