1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum

C12H24Cl4O6Pt — CID 6711589

IUPAC1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum
SMILESC1COCCOCCOCCOCCOCCO1.Cl[Pt](Cl)(Cl)Cl
InChIInChI=1S/C12H24O6.4ClH.Pt/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;;;;;/h1-12H2;4*1H;/q;;;;;+4/p-4
InChIKeyJCVQYWVZDRRXIT-UHFFFAOYSA-J
MW601.21 g/mol
LogP2.86
Rot. Bonds

About 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum

1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum (PubChem CID 6711589) has the molecular formula C12H24Cl4O6Pt and a molecular weight of 601.21 g/mol. Its IUPAC name is 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum.

Molecular Properties

Compound Name1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum
PubChem CID6711589
Molecular FormulaC12H24Cl4O6Pt
Molecular Weight601.21 g/mol
Exact Mass599.00
IUPAC Name1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum
SMILESC1COCCOCCOCCOCCOCCO1.Cl[Pt](Cl)(Cl)Cl
InChIInChI=1S/C12H24O6.4ClH.Pt/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;;;;;/h1-12H2;4*1H;/q;;;;;+4/p-4
InChIKeyJCVQYWVZDRRXIT-UHFFFAOYSA-J
XLogP2.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum?
The IUPAC name of 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum (CID 6711589) is 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum.
What is the SMILES notation for 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum?
The canonical SMILES for 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum is C1COCCOCCOCCOCCOCCO1.Cl[Pt](Cl)(Cl)Cl.
What is the InChIKey of 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum?
The InChIKey is JCVQYWVZDRRXIT-UHFFFAOYSA-J. The full InChI is InChI=1S/C12H24O6.4ClH.Pt/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;;;;;/h1-12H2;4*1H;/q;;;;;+4/p-4.
What are the key properties of 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum?
1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum has a molecular weight of 601.21 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13,16-hexaoxacyclooctadecane;tetrachloroplatinum is sourced from PubChem (CID 6711589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).