CID 11332047

C32H44Cl2N2O12Pd2 — CID 11332047

IUPAC—
SMILESC/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=C[CH-]1.C/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=C[CH-]1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C16H22NO6.2ClH.2Pd/c2*1-13(17-18)14-2-3-15-16(12-14)23-11-9-21-7-5-19-4-6-20-8-10-22-15;;;;/h2*2-3,12H,4-11H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*14-13+;;;;
InChIKeyNQMSMVFJHQWKEH-ZRVBCOBJSA-L
MW932.45 g/mol
LogP5.59
Rot. Bonds2

About CID 11332047

CID 11332047 (PubChem CID 11332047) has the molecular formula C32H44Cl2N2O12Pd2 and a molecular weight of 932.45 g/mol.

Molecular Properties

Compound NameCID 11332047
PubChem CID11332047
Molecular FormulaC32H44Cl2N2O12Pd2
Molecular Weight932.45 g/mol
Exact Mass930.03
IUPAC Name—
SMILESC/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=C[CH-]1.C/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=C[CH-]1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C16H22NO6.2ClH.2Pd/c2*1-13(17-18)14-2-3-15-16(12-14)23-11-9-21-7-5-19-4-6-20-8-10-22-15;;;;/h2*2-3,12H,4-11H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*14-13+;;;;
InChIKeyNQMSMVFJHQWKEH-ZRVBCOBJSA-L
XLogP5.59
TPSA151.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11332047?
The IUPAC name of CID 11332047 (CID 11332047) is not available.
What is the SMILES notation for CID 11332047?
The canonical SMILES for CID 11332047 is C/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=C[CH-]1.C/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=C[CH-]1.Cl[Pd+].Cl[Pd+].
What is the InChIKey of CID 11332047?
The InChIKey is NQMSMVFJHQWKEH-ZRVBCOBJSA-L. The full InChI is InChI=1S/2C16H22NO6.2ClH.2Pd/c2*1-13(17-18)14-2-3-15-16(12-14)23-11-9-21-7-5-19-4-6-20-8-10-22-15;;;;/h2*2-3,12H,4-11H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*14-13+;;;;.
What are the key properties of CID 11332047?
CID 11332047 has a molecular weight of 932.45 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11332047 is sourced from PubChem (CID 11332047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).