2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium

C10H12O2Ru — CID 174971310

IUPAC2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium
SMILESCC(C)(C)C1=CC(=O)C=CC1=O.[Ru]
InChIInChI=1S/C10H12O2.Ru/c1-10(2,3)8-6-7(11)4-5-9(8)12;/h4-6H,1-3H3;
InChIKeyHNFJZJXFSWOJRC-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.66
Rot. Bonds

About 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium

2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium (PubChem CID 174971310) has the molecular formula C10H12O2Ru and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium.

Molecular Properties

Compound Name2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium
PubChem CID174971310
Molecular FormulaC10H12O2Ru
Molecular Weight265.27 g/mol
Exact Mass265.99
IUPAC Name2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium
SMILESCC(C)(C)C1=CC(=O)C=CC1=O.[Ru]
InChIInChI=1S/C10H12O2.Ru/c1-10(2,3)8-6-7(11)4-5-9(8)12;/h4-6H,1-3H3;
InChIKeyHNFJZJXFSWOJRC-UHFFFAOYSA-N
XLogP1.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium?
The IUPAC name of 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium (CID 174971310) is 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium.
What is the SMILES notation for 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium?
The canonical SMILES for 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium is CC(C)(C)C1=CC(=O)C=CC1=O.[Ru].
What is the InChIKey of 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium?
The InChIKey is HNFJZJXFSWOJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.Ru/c1-10(2,3)8-6-7(11)4-5-9(8)12;/h4-6H,1-3H3;.
What are the key properties of 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium?
2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium has a molecular weight of 265.27 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclohexa-2,5-diene-1,4-dione;ruthenium is sourced from PubChem (CID 174971310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).