tert-butylbenzene;ruthenium(1+)

C10H13Ru — CID 151873538

IUPACtert-butylbenzene;ruthenium(1+)
SMILESCC(C)(C)c1cc[c-]cc1.[Ru+]
InChIInChI=1S/C10H13.Ru/c1-10(2,3)9-7-5-4-6-8-9;/h5-8H,1-3H3;/q-1;+1
InChIKeyASZNXPHWBRCJRV-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.78
Rot. Bonds

About tert-butylbenzene;ruthenium(1+)

tert-butylbenzene;ruthenium(1+) (PubChem CID 151873538) has the molecular formula C10H13Ru and a molecular weight of 234.28 g/mol. Its IUPAC name is tert-butylbenzene;ruthenium(1+).

Molecular Properties

Compound Nametert-butylbenzene;ruthenium(1+)
PubChem CID151873538
Molecular FormulaC10H13Ru
Molecular Weight234.28 g/mol
Exact Mass235.01
IUPAC Nametert-butylbenzene;ruthenium(1+)
SMILESCC(C)(C)c1cc[c-]cc1.[Ru+]
InChIInChI=1S/C10H13.Ru/c1-10(2,3)9-7-5-4-6-8-9;/h5-8H,1-3H3;/q-1;+1
InChIKeyASZNXPHWBRCJRV-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;ruthenium(1+)?
The IUPAC name of tert-butylbenzene;ruthenium(1+) (CID 151873538) is tert-butylbenzene;ruthenium(1+).
What is the SMILES notation for tert-butylbenzene;ruthenium(1+)?
The canonical SMILES for tert-butylbenzene;ruthenium(1+) is CC(C)(C)c1cc[c-]cc1.[Ru+].
What is the InChIKey of tert-butylbenzene;ruthenium(1+)?
The InChIKey is ASZNXPHWBRCJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.Ru/c1-10(2,3)9-7-5-4-6-8-9;/h5-8H,1-3H3;/q-1;+1.
What are the key properties of tert-butylbenzene;ruthenium(1+)?
tert-butylbenzene;ruthenium(1+) has a molecular weight of 234.28 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;ruthenium(1+) is sourced from PubChem (CID 151873538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).