CID 135022598

C15H41BrP2PtSi+2 — CID 135022598

IUPAC—
SMILESBr[Pt].CC[PH+](CC)CC.CC[PH+](CC)CC.C[Si](C)C
InChIInChI=1S/2C6H15P.C3H9Si.BrH.Pt/c2*1-4-7(5-2)6-3;1-4(2)3;;/h2*4-6H2,1-3H3;1-3H3;1H;/q;;;;+1/p+1
InChIKeyPWMNKPLYJDBFER-UHFFFAOYSA-O
MW586.51 g/mol
LogP6.73
Rot. Bonds6

About CID 135022598

CID 135022598 (PubChem CID 135022598) has the molecular formula C15H41BrP2PtSi+2 and a molecular weight of 586.51 g/mol.

Molecular Properties

Compound NameCID 135022598
PubChem CID135022598
Molecular FormulaC15H41BrP2PtSi+2
Molecular Weight586.51 g/mol
Exact Mass585.13
IUPAC Name—
SMILESBr[Pt].CC[PH+](CC)CC.CC[PH+](CC)CC.C[Si](C)C
InChIInChI=1S/2C6H15P.C3H9Si.BrH.Pt/c2*1-4-7(5-2)6-3;1-4(2)3;;/h2*4-6H2,1-3H3;1-3H3;1H;/q;;;;+1/p+1
InChIKeyPWMNKPLYJDBFER-UHFFFAOYSA-O
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135022598?
The IUPAC name of CID 135022598 (CID 135022598) is not available.
What is the SMILES notation for CID 135022598?
The canonical SMILES for CID 135022598 is Br[Pt].CC[PH+](CC)CC.CC[PH+](CC)CC.C[Si](C)C.
What is the InChIKey of CID 135022598?
The InChIKey is PWMNKPLYJDBFER-UHFFFAOYSA-O. The full InChI is InChI=1S/2C6H15P.C3H9Si.BrH.Pt/c2*1-4-7(5-2)6-3;1-4(2)3;;/h2*4-6H2,1-3H3;1-3H3;1H;/q;;;;+1/p+1.
What are the key properties of CID 135022598?
CID 135022598 has a molecular weight of 586.51 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135022598 is sourced from PubChem (CID 135022598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).