CID 172721003

C8H14Cl2CrSi — CID 172721003

IUPAC—
SMILESC[Si](C)C.[Cl-].[Cl-].[Cr+3].c1cc[cH-]c1
InChIInChI=1S/C5H5.C3H9Si.2ClH.Cr/c1-2-4-5-3-1;1-4(2)3;;;/h1-5H;1-3H3;2*1H;/q-1;;;;+3/p-2
InChIKeyGIBIKVLKQUDSPJ-UHFFFAOYSA-L
MW261.19 g/mol
LogP-3.22
Rot. Bonds

About CID 172721003

CID 172721003 (PubChem CID 172721003) has the molecular formula C8H14Cl2CrSi and a molecular weight of 261.19 g/mol.

Molecular Properties

Compound NameCID 172721003
PubChem CID172721003
Molecular FormulaC8H14Cl2CrSi
Molecular Weight261.19 g/mol
Exact Mass259.96
IUPAC Name—
SMILESC[Si](C)C.[Cl-].[Cl-].[Cr+3].c1cc[cH-]c1
InChIInChI=1S/C5H5.C3H9Si.2ClH.Cr/c1-2-4-5-3-1;1-4(2)3;;;/h1-5H;1-3H3;2*1H;/q-1;;;;+3/p-2
InChIKeyGIBIKVLKQUDSPJ-UHFFFAOYSA-L
XLogP-3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 5-3.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172721003?
The IUPAC name of CID 172721003 (CID 172721003) is not available.
What is the SMILES notation for CID 172721003?
The canonical SMILES for CID 172721003 is C[Si](C)C.[Cl-].[Cl-].[Cr+3].c1cc[cH-]c1.
What is the InChIKey of CID 172721003?
The InChIKey is GIBIKVLKQUDSPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.C3H9Si.2ClH.Cr/c1-2-4-5-3-1;1-4(2)3;;;/h1-5H;1-3H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 172721003?
CID 172721003 has a molecular weight of 261.19 g/mol, XLogP of -3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172721003 is sourced from PubChem (CID 172721003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).