CID 162060680

C14H21Cl2SiZr — CID 162060680

IUPAC—
SMILESCC1=CC[C-]=C1.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C6H7.C2H7Si.2ClH.Zr/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*4-5H,2H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRGMXOHXRWUJLRJ-UHFFFAOYSA-L
MW379.54 g/mol
LogP-2.08
Rot. Bonds

About CID 162060680

CID 162060680 (PubChem CID 162060680) has the molecular formula C14H21Cl2SiZr and a molecular weight of 379.54 g/mol.

Molecular Properties

Compound NameCID 162060680
PubChem CID162060680
Molecular FormulaC14H21Cl2SiZr
Molecular Weight379.54 g/mol
Exact Mass376.98
IUPAC Name—
SMILESCC1=CC[C-]=C1.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C6H7.C2H7Si.2ClH.Zr/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*4-5H,2H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRGMXOHXRWUJLRJ-UHFFFAOYSA-L
XLogP-2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 5-2.08
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 162060680?
The IUPAC name of CID 162060680 (CID 162060680) is not available.
What is the SMILES notation for CID 162060680?
The canonical SMILES for CID 162060680 is CC1=CC[C-]=C1.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 162060680?
The InChIKey is RGMXOHXRWUJLRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.C2H7Si.2ClH.Zr/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*4-5H,2H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 162060680?
CID 162060680 has a molecular weight of 379.54 g/mol, XLogP of -2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162060680 is sourced from PubChem (CID 162060680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).