bis(2,6-dimethylheptane);platinum

C18H38Pt2-2 — CID 160701754

IUPACbis(2,6-dimethylheptane);platinum
SMILESCC(C)C[CH-]CC(C)C.CC(C)C[CH-]CC(C)C.[Pt].[Pt]
InChIInChI=1S/2C9H19.2Pt/c2*1-8(2)6-5-7-9(3)4;;/h2*5,8-9H,6-7H2,1-4H3;;/q2*-1;;
InChIKeyZOMRHIUCYGSRRQ-UHFFFAOYSA-N
MW644.66 g/mol
LogP6.56
Rot. Bonds8

About bis(2,6-dimethylheptane);platinum

bis(2,6-dimethylheptane);platinum (PubChem CID 160701754) has the molecular formula C18H38Pt2-2 and a molecular weight of 644.66 g/mol. Its IUPAC name is bis(2,6-dimethylheptane);platinum.

Molecular Properties

Compound Namebis(2,6-dimethylheptane);platinum
PubChem CID160701754
Molecular FormulaC18H38Pt2-2
Molecular Weight644.66 g/mol
Exact Mass644.23
IUPAC Namebis(2,6-dimethylheptane);platinum
SMILESCC(C)C[CH-]CC(C)C.CC(C)C[CH-]CC(C)C.[Pt].[Pt]
InChIInChI=1S/2C9H19.2Pt/c2*1-8(2)6-5-7-9(3)4;;/h2*5,8-9H,6-7H2,1-4H3;;/q2*-1;;
InChIKeyZOMRHIUCYGSRRQ-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.66
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum
CID 157096140
2,5-dimethylheptane
CID 90751376
ethyl-dimethyl-(5-methylhexyl)phosphanium
CID 90936970
argon;ethane;methane;2-methylpentane;molecular fluorine;bis(rutherfordium);hydrofluoride
CID 160511644
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2-methylbutane
CID 158117812
2,4-dimethylpentane
CID 157050020
2-methylbutane
CID 159175971
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
bis(2,4-dimethylpentane);propane;tungsten(2+)
CID 157303030
tris(2,7-dimethyloctane);ethane;methane
CID 159869544

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethylheptane);platinum?
The IUPAC name of bis(2,6-dimethylheptane);platinum (CID 160701754) is bis(2,6-dimethylheptane);platinum.
What is the SMILES notation for bis(2,6-dimethylheptane);platinum?
The canonical SMILES for bis(2,6-dimethylheptane);platinum is CC(C)C[CH-]CC(C)C.CC(C)C[CH-]CC(C)C.[Pt].[Pt].
What is the InChIKey of bis(2,6-dimethylheptane);platinum?
The InChIKey is ZOMRHIUCYGSRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19.2Pt/c2*1-8(2)6-5-7-9(3)4;;/h2*5,8-9H,6-7H2,1-4H3;;/q2*-1;;.
What are the key properties of bis(2,6-dimethylheptane);platinum?
bis(2,6-dimethylheptane);platinum has a molecular weight of 644.66 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylheptane);platinum is sourced from PubChem (CID 160701754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).