CID 173302368

C20H21HfSn-2 — CID 173302368

IUPAC—
SMILESC[SnH]C.[C-]1=CC=CC1.[Hf].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.2CH3.Hf.Sn.H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;;/h1-5,7-8H,9H2;1-3H,4H2;2*1H3;;;/q2*-1;;;;;
InChIKeyJJNGLCMLGKRRPP-UHFFFAOYSA-N
MW558.59 g/mol
LogP4.88
Rot. Bonds

About CID 173302368

CID 173302368 (PubChem CID 173302368) has the molecular formula C20H21HfSn-2 and a molecular weight of 558.59 g/mol.

Molecular Properties

Compound NameCID 173302368
PubChem CID173302368
Molecular FormulaC20H21HfSn-2
Molecular Weight558.59 g/mol
Exact Mass561.01
IUPAC Name—
SMILESC[SnH]C.[C-]1=CC=CC1.[Hf].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.2CH3.Hf.Sn.H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;;/h1-5,7-8H,9H2;1-3H,4H2;2*1H3;;;/q2*-1;;;;;
InChIKeyJJNGLCMLGKRRPP-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.59
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173302368?
The IUPAC name of CID 173302368 (CID 173302368) is not available.
What is the SMILES notation for CID 173302368?
The canonical SMILES for CID 173302368 is C[SnH]C.[C-]1=CC=CC1.[Hf].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173302368?
The InChIKey is JJNGLCMLGKRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H5.2CH3.Hf.Sn.H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;;/h1-5,7-8H,9H2;1-3H,4H2;2*1H3;;;/q2*-1;;;;;.
What are the key properties of CID 173302368?
CID 173302368 has a molecular weight of 558.59 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173302368 is sourced from PubChem (CID 173302368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).