2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione

C14H22O4Si — CID 134923947

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
SMILESCC(C)(C)[Si](C)(C)OCC1=CC(=O)C=C(CO)C1=O
InChIInChI=1S/C14H22O4Si/c1-14(2,3)19(4,5)18-9-11-7-12(16)6-10(8-15)13(11)17/h6-7,15H,8-9H2,1-5H3
InChIKeyKFHHWYPYXXYHKB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.01
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 134923947) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID134923947
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
SMILESCC(C)(C)[Si](C)(C)OCC1=CC(=O)C=C(CO)C1=O
InChIInChI=1S/C14H22O4Si/c1-14(2,3)19(4,5)18-9-11-7-12(16)6-10(8-15)13(11)17/h6-7,15H,8-9H2,1-5H3
InChIKeyKFHHWYPYXXYHKB-UHFFFAOYSA-N
XLogP2.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.01
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-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione (CID 134923947) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione is CC(C)(C)[Si](C)(C)OCC1=CC(=O)C=C(CO)C1=O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is KFHHWYPYXXYHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-14(2,3)19(4,5)18-9-11-7-12(16)6-10(8-15)13(11)17/h6-7,15H,8-9H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 282.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 134923947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).