CID 66989826

C15H15ClSi — CID 66989826

IUPAC—
SMILESCc1cccc(C([Si]Cl)c2ccccc2)c1C
InChIInChI=1S/C15H15ClSi/c1-11-7-6-10-14(12(11)2)15(17-16)13-8-4-3-5-9-13/h3-10,15H,1-2H3
InChIKeyFIRRDFKTBKIKAA-UHFFFAOYSA-N
MW258.82 g/mol
LogP4.25
Rot. Bonds3

About CID 66989826

CID 66989826 (PubChem CID 66989826) has the molecular formula C15H15ClSi and a molecular weight of 258.82 g/mol.

Molecular Properties

Compound NameCID 66989826
PubChem CID66989826
Molecular FormulaC15H15ClSi
Molecular Weight258.82 g/mol
Exact Mass258.06
IUPAC Name—
SMILESCc1cccc(C([Si]Cl)c2ccccc2)c1C
InChIInChI=1S/C15H15ClSi/c1-11-7-6-10-14(12(11)2)15(17-16)13-8-4-3-5-9-13/h3-10,15H,1-2H3
InChIKeyFIRRDFKTBKIKAA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 67414527
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1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene
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CID 159605245
1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 66989826?
The IUPAC name of CID 66989826 (CID 66989826) is not available.
What is the SMILES notation for CID 66989826?
The canonical SMILES for CID 66989826 is Cc1cccc(C([Si]Cl)c2ccccc2)c1C.
What is the InChIKey of CID 66989826?
The InChIKey is FIRRDFKTBKIKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClSi/c1-11-7-6-10-14(12(11)2)15(17-16)13-8-4-3-5-9-13/h3-10,15H,1-2H3.
What are the key properties of CID 66989826?
CID 66989826 has a molecular weight of 258.82 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66989826 is sourced from PubChem (CID 66989826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).