2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione

C19H25NO3Si — CID 134846304

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(Nc2cccc(O[Si](C)(C)C(C)(C)C)c2)=CC1=O
InChIInChI=1S/C19H25NO3Si/c1-13-10-18(22)16(12-17(13)21)20-14-8-7-9-15(11-14)23-24(5,6)19(2,3)4/h7-12,20H,1-6H3
InChIKeyHJHCWXPZVUOYIR-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.46
Rot. Bonds4

About 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione

2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione (PubChem CID 134846304) has the molecular formula C19H25NO3Si and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione
PubChem CID134846304
Molecular FormulaC19H25NO3Si
Molecular Weight343.50 g/mol
Exact Mass343.16
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(Nc2cccc(O[Si](C)(C)C(C)(C)C)c2)=CC1=O
InChIInChI=1S/C19H25NO3Si/c1-13-10-18(22)16(12-17(13)21)20-14-8-7-9-15(11-14)23-24(5,6)19(2,3)4/h7-12,20H,1-6H3
InChIKeyHJHCWXPZVUOYIR-UHFFFAOYSA-N
XLogP4.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione (CID 134846304) is 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione is CC1=CC(=O)C(Nc2cccc(O[Si](C)(C)C(C)(C)C)c2)=CC1=O.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is HJHCWXPZVUOYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3Si/c1-13-10-18(22)16(12-17(13)21)20-14-8-7-9-15(11-14)23-24(5,6)19(2,3)4/h7-12,20H,1-6H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione?
2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 343.50 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 134846304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).