CID 67656139

C16H17Cl2Si — CID 67656139

IUPAC—
SMILESCl[Si](Cl)C1C(C2CC3CCC2C3)=Cc2ccccc21
InChIInChI=1S/C16H17Cl2Si/c17-19(18)16-13-4-2-1-3-11(13)9-15(16)14-8-10-5-6-12(14)7-10/h1-4,9-10,12,14,16H,5-8H2
InChIKeyXESXKTFWESKUIC-UHFFFAOYSA-N
MW308.30 g/mol
LogP5.11
Rot. Bonds2

About CID 67656139

CID 67656139 (PubChem CID 67656139) has the molecular formula C16H17Cl2Si and a molecular weight of 308.30 g/mol.

Molecular Properties

Compound NameCID 67656139
PubChem CID67656139
Molecular FormulaC16H17Cl2Si
Molecular Weight308.30 g/mol
Exact Mass307.05
IUPAC Name—
SMILESCl[Si](Cl)C1C(C2CC3CCC2C3)=Cc2ccccc21
InChIInChI=1S/C16H17Cl2Si/c17-19(18)16-13-4-2-1-3-11(13)9-15(16)14-8-10-5-6-12(14)7-10/h1-4,9-10,12,14,16H,5-8H2
InChIKeyXESXKTFWESKUIC-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.30
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of CID 67656139?
The IUPAC name of CID 67656139 (CID 67656139) is not available.
What is the SMILES notation for CID 67656139?
The canonical SMILES for CID 67656139 is Cl[Si](Cl)C1C(C2CC3CCC2C3)=Cc2ccccc21.
What is the InChIKey of CID 67656139?
The InChIKey is XESXKTFWESKUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2Si/c17-19(18)16-13-4-2-1-3-11(13)9-15(16)14-8-10-5-6-12(14)7-10/h1-4,9-10,12,14,16H,5-8H2.
What are the key properties of CID 67656139?
CID 67656139 has a molecular weight of 308.30 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67656139 is sourced from PubChem (CID 67656139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).