CID 174221085

C15H21Br2SiZr — CID 174221085

IUPAC—
SMILESCC[Si]CC.CCc1cc2ccccc2[cH-]1.[Br-].[Br-].[Zr+3]
InChIInChI=1S/C11H11.C4H10Si.2BrH.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-5-4-2;;;/h3-8H,2H2,1H3;3-4H2,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyMYQNQNPCEDXYBT-UHFFFAOYSA-L
MW480.45 g/mol
LogP-1.31
Rot. Bonds3

About CID 174221085

CID 174221085 (PubChem CID 174221085) has the molecular formula C15H21Br2SiZr and a molecular weight of 480.45 g/mol.

Molecular Properties

Compound NameCID 174221085
PubChem CID174221085
Molecular FormulaC15H21Br2SiZr
Molecular Weight480.45 g/mol
Exact Mass476.88
IUPAC Name—
SMILESCC[Si]CC.CCc1cc2ccccc2[cH-]1.[Br-].[Br-].[Zr+3]
InChIInChI=1S/C11H11.C4H10Si.2BrH.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-5-4-2;;;/h3-8H,2H2,1H3;3-4H2,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyMYQNQNPCEDXYBT-UHFFFAOYSA-L
XLogP-1.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 5-1.31
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 174221085?
The IUPAC name of CID 174221085 (CID 174221085) is not available.
What is the SMILES notation for CID 174221085?
The canonical SMILES for CID 174221085 is CC[Si]CC.CCc1cc2ccccc2[cH-]1.[Br-].[Br-].[Zr+3].
What is the InChIKey of CID 174221085?
The InChIKey is MYQNQNPCEDXYBT-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11.C4H10Si.2BrH.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-5-4-2;;;/h3-8H,2H2,1H3;3-4H2,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 174221085?
CID 174221085 has a molecular weight of 480.45 g/mol, XLogP of -1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174221085 is sourced from PubChem (CID 174221085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).