CID 18958372

C21H18ClSi — CID 18958372

IUPAC—
SMILESCC1=Cc2ccccc2C1C([Si])(Cl)C1C(C)=Cc2ccccc21
InChIInChI=1S/C21H18ClSi/c1-13-11-15-7-3-5-9-17(15)19(13)21(22,23)20-14(2)12-16-8-4-6-10-18(16)20/h3-12,19-20H,1-2H3
InChIKeyRXDVSLCCYFCTRN-UHFFFAOYSA-N
MW333.91 g/mol
LogP5.49
Rot. Bonds2

About CID 18958372

CID 18958372 (PubChem CID 18958372) has the molecular formula C21H18ClSi and a molecular weight of 333.91 g/mol.

Molecular Properties

Compound NameCID 18958372
PubChem CID18958372
Molecular FormulaC21H18ClSi
Molecular Weight333.91 g/mol
Exact Mass333.09
IUPAC Name—
SMILESCC1=Cc2ccccc2C1C([Si])(Cl)C1C(C)=Cc2ccccc21
InChIInChI=1S/C21H18ClSi/c1-13-11-15-7-3-5-9-17(15)19(13)21(22,23)20-14(2)12-16-8-4-6-10-18(16)20/h3-12,19-20H,1-2H3
InChIKeyRXDVSLCCYFCTRN-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.91
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18958372?
The IUPAC name of CID 18958372 (CID 18958372) is not available.
What is the SMILES notation for CID 18958372?
The canonical SMILES for CID 18958372 is CC1=Cc2ccccc2C1C([Si])(Cl)C1C(C)=Cc2ccccc21.
What is the InChIKey of CID 18958372?
The InChIKey is RXDVSLCCYFCTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClSi/c1-13-11-15-7-3-5-9-17(15)19(13)21(22,23)20-14(2)12-16-8-4-6-10-18(16)20/h3-12,19-20H,1-2H3.
What are the key properties of CID 18958372?
CID 18958372 has a molecular weight of 333.91 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18958372 is sourced from PubChem (CID 18958372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).