2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum

C21H36Pt2-2 — CID 157096140

IUPAC2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum
SMILESCC(C)C[CH-]CC(C)C.CC(C)c1[c-]c(C(C)C)ccc1.[Pt].[Pt]
InChIInChI=1S/C12H17.C9H19.2Pt/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)6-5-7-9(3)4;;/h5-7,9-10H,1-4H3;5,8-9H,6-7H2,1-4H3;;/q2*-1;;
InChIKeyWPFNDGALTAOXCR-UHFFFAOYSA-N
MW678.67 g/mol
LogP7.01
Rot. Bonds6

About 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum

2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum (PubChem CID 157096140) has the molecular formula C21H36Pt2-2 and a molecular weight of 678.67 g/mol. Its IUPAC name is 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum.

Molecular Properties

Compound Name2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum
PubChem CID157096140
Molecular FormulaC21H36Pt2-2
Molecular Weight678.67 g/mol
Exact Mass678.21
IUPAC Name2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum
SMILESCC(C)C[CH-]CC(C)C.CC(C)c1[c-]c(C(C)C)ccc1.[Pt].[Pt]
InChIInChI=1S/C12H17.C9H19.2Pt/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)6-5-7-9(3)4;;/h5-7,9-10H,1-4H3;5,8-9H,6-7H2,1-4H3;;/q2*-1;;
InChIKeyWPFNDGALTAOXCR-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.67
LogP ≤ 57.01
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

1,3-di(propan-2-yl)benzene-2-ide
CID 102286386
N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium
CID 164767448
propan-2-ylbenzene;yttrium
CID 58365433
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
cumene
CID 161227923
cumene;2-methylpropane;propane
CID 158125037
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
cumene;ethane
CID 54306132
cumene;2-methylpropane
CID 90828344
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum?
The IUPAC name of 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum (CID 157096140) is 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum.
What is the SMILES notation for 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum?
The canonical SMILES for 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum is CC(C)C[CH-]CC(C)C.CC(C)c1[c-]c(C(C)C)ccc1.[Pt].[Pt].
What is the InChIKey of 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum?
The InChIKey is WPFNDGALTAOXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17.C9H19.2Pt/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)6-5-7-9(3)4;;/h5-7,9-10H,1-4H3;5,8-9H,6-7H2,1-4H3;;/q2*-1;;.
What are the key properties of 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum?
2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum has a molecular weight of 678.67 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum is sourced from PubChem (CID 157096140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).