7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione

C36H38O4Si — CID 101342746

IUPAC7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione
SMILESCC1(CC2=CC(=O)c3oc4cc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)ccc4c3C2=O)CCCCC1
InChIInChI=1S/C36H38O4Si/c1-35(2,3)41(27-14-8-5-9-15-27,28-16-10-6-11-17-28)40-26-18-19-29-31(23-26)39-34-30(37)22-25(33(38)32(29)34)24-36(4)20-12-7-13-21-36/h5-6,8-11,14-19,22-23H,7,12-13,20-21,24H2,1-4H3
InChIKeyDHSJZPHHBSCBCX-UHFFFAOYSA-N
MW562.78 g/mol
LogP8.04
Rot. Bonds6

About 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione

7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione (PubChem CID 101342746) has the molecular formula C36H38O4Si and a molecular weight of 562.78 g/mol. Its IUPAC name is 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione.

Molecular Properties

Compound Name7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione
PubChem CID101342746
Molecular FormulaC36H38O4Si
Molecular Weight562.78 g/mol
Exact Mass562.25
IUPAC Name7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione
SMILESCC1(CC2=CC(=O)c3oc4cc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)ccc4c3C2=O)CCCCC1
InChIInChI=1S/C36H38O4Si/c1-35(2,3)41(27-14-8-5-9-15-27,28-16-10-6-11-17-28)40-26-18-19-29-31(23-26)39-34-30(37)22-25(33(38)32(29)34)24-36(4)20-12-7-13-21-36/h5-6,8-11,14-19,22-23H,7,12-13,20-21,24H2,1-4H3
InChIKeyDHSJZPHHBSCBCX-UHFFFAOYSA-N
XLogP8.04
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.78
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione?
The IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione (CID 101342746) is 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione.
What is the SMILES notation for 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione?
The canonical SMILES for 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione is CC1(CC2=CC(=O)c3oc4cc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)ccc4c3C2=O)CCCCC1.
What is the InChIKey of 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione?
The InChIKey is DHSJZPHHBSCBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38O4Si/c1-35(2,3)41(27-14-8-5-9-15-27,28-16-10-6-11-17-28)40-26-18-19-29-31(23-26)39-34-30(37)22-25(33(38)32(29)34)24-36(4)20-12-7-13-21-36/h5-6,8-11,14-19,22-23H,7,12-13,20-21,24H2,1-4H3.
What are the key properties of 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione?
7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione has a molecular weight of 562.78 g/mol, XLogP of 8.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione is sourced from PubChem (CID 101342746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).