CID 6330515

C24H34Cl2OSn2 — CID 6330515

IUPAC—
SMILESCl[Sn](c1ccccc1)C1CCCCC1.Cl[Sn](c1ccccc1)C1CCCCC1.O
InChIInChI=1S/2C6H11.2C6H5.2ClH.H2O.2Sn/c4*1-2-4-6-5-3-1;;;;;/h2*1H,2-6H2;2*1-5H;2*1H;1H2;;/q;;;;;;;2*+1/p-2
InChIKeyPYSXDLBAKRVEGU-UHFFFAOYSA-L
MW646.86 g/mol
LogP6.09
Rot. Bonds4

About CID 6330515

CID 6330515 (PubChem CID 6330515) has the molecular formula C24H34Cl2OSn2 and a molecular weight of 646.86 g/mol.

Molecular Properties

Compound NameCID 6330515
PubChem CID6330515
Molecular FormulaC24H34Cl2OSn2
Molecular Weight646.86 g/mol
Exact Mass648.00
IUPAC Name—
SMILESCl[Sn](c1ccccc1)C1CCCCC1.Cl[Sn](c1ccccc1)C1CCCCC1.O
InChIInChI=1S/2C6H11.2C6H5.2ClH.H2O.2Sn/c4*1-2-4-6-5-3-1;;;;;/h2*1H,2-6H2;2*1-5H;2*1H;1H2;;/q;;;;;;;2*+1/p-2
InChIKeyPYSXDLBAKRVEGU-UHFFFAOYSA-L
XLogP6.09
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.86
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 6330515?
The IUPAC name of CID 6330515 (CID 6330515) is not available.
What is the SMILES notation for CID 6330515?
The canonical SMILES for CID 6330515 is Cl[Sn](c1ccccc1)C1CCCCC1.Cl[Sn](c1ccccc1)C1CCCCC1.O.
What is the InChIKey of CID 6330515?
The InChIKey is PYSXDLBAKRVEGU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H11.2C6H5.2ClH.H2O.2Sn/c4*1-2-4-6-5-3-1;;;;;/h2*1H,2-6H2;2*1-5H;2*1H;1H2;;/q;;;;;;;2*+1/p-2.
What are the key properties of CID 6330515?
CID 6330515 has a molecular weight of 646.86 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330515 is sourced from PubChem (CID 6330515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).