CID 173106411

C16H17Cl2SiZr — CID 173106411

IUPAC—
SMILESC[Si]C.[C-]1=C(C2C=Cc3ccccc32)C=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C14H11.C2H6Si.2ClH.Zr/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;1-3-2;;;/h1,3-5,7-10,14H,2H2;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyRAWBQEJVFMVTID-UHFFFAOYSA-L
MW399.53 g/mol
LogP-1.72
Rot. Bonds1

About CID 173106411

CID 173106411 (PubChem CID 173106411) has the molecular formula C16H17Cl2SiZr and a molecular weight of 399.53 g/mol.

Molecular Properties

Compound NameCID 173106411
PubChem CID173106411
Molecular FormulaC16H17Cl2SiZr
Molecular Weight399.53 g/mol
Exact Mass396.95
IUPAC Name—
SMILESC[Si]C.[C-]1=C(C2C=Cc3ccccc32)C=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C14H11.C2H6Si.2ClH.Zr/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;1-3-2;;;/h1,3-5,7-10,14H,2H2;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyRAWBQEJVFMVTID-UHFFFAOYSA-L
XLogP-1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 5-1.72
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 173106411?
The IUPAC name of CID 173106411 (CID 173106411) is not available.
What is the SMILES notation for CID 173106411?
The canonical SMILES for CID 173106411 is C[Si]C.[C-]1=C(C2C=Cc3ccccc32)C=CC1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 173106411?
The InChIKey is RAWBQEJVFMVTID-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H11.C2H6Si.2ClH.Zr/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;1-3-2;;;/h1,3-5,7-10,14H,2H2;1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 173106411?
CID 173106411 has a molecular weight of 399.53 g/mol, XLogP of -1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173106411 is sourced from PubChem (CID 173106411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).