CID 135539618

C4H12Cl8NRuSn2 — CID 135539618

IUPAC—
SMILESC[N+](C)(C)C.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Cl-].[Cl-].[Ru+]
InChIInChI=1S/C4H12N.8ClH.Ru.2Sn/c1-5(2,3)4;;;;;;;;;;;/h1-4H3;8*1H;;;/q+1;;;;;;;;;+1;2*+3/p-8
InChIKeySLXQJIJTKXVGKN-UHFFFAOYSA-F
MW696.26 g/mol
LogP-2.30
Rot. Bonds

About CID 135539618

CID 135539618 (PubChem CID 135539618) has the molecular formula C4H12Cl8NRuSn2 and a molecular weight of 696.26 g/mol.

Molecular Properties

Compound NameCID 135539618
PubChem CID135539618
Molecular FormulaC4H12Cl8NRuSn2
Molecular Weight696.26 g/mol
Exact Mass695.56
IUPAC Name—
SMILESC[N+](C)(C)C.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Cl-].[Cl-].[Ru+]
InChIInChI=1S/C4H12N.8ClH.Ru.2Sn/c1-5(2,3)4;;;;;;;;;;;/h1-4H3;8*1H;;;/q+1;;;;;;;;;+1;2*+3/p-8
InChIKeySLXQJIJTKXVGKN-UHFFFAOYSA-F
XLogP-2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500696.26
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 135539618?
The IUPAC name of CID 135539618 (CID 135539618) is not available.
What is the SMILES notation for CID 135539618?
The canonical SMILES for CID 135539618 is C[N+](C)(C)C.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Cl-].[Cl-].[Ru+].
What is the InChIKey of CID 135539618?
The InChIKey is SLXQJIJTKXVGKN-UHFFFAOYSA-F. The full InChI is InChI=1S/C4H12N.8ClH.Ru.2Sn/c1-5(2,3)4;;;;;;;;;;;/h1-4H3;8*1H;;;/q+1;;;;;;;;;+1;2*+3/p-8.
What are the key properties of CID 135539618?
CID 135539618 has a molecular weight of 696.26 g/mol, XLogP of -2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135539618 is sourced from PubChem (CID 135539618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).