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

C15H24O4Si — CID 91826703

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione
SMILESCOC1=C(C)C(CO[Si](C)(C)C(C)(C)C)=CC(=O)C1=O
InChIInChI=1S/C15H24O4Si/c1-10-11(8-12(16)13(17)14(10)18-5)9-19-20(6,7)15(2,3)4/h8H,9H2,1-7H3
InChIKeyLWNMCNGLFBWMEH-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.01
Rot. Bonds4

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

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione (PubChem CID 91826703) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione
PubChem CID91826703
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione
SMILESCOC1=C(C)C(CO[Si](C)(C)C(C)(C)C)=CC(=O)C1=O
InChIInChI=1S/C15H24O4Si/c1-10-11(8-12(16)13(17)14(10)18-5)9-19-20(6,7)15(2,3)4/h8H,9H2,1-7H3
InChIKeyLWNMCNGLFBWMEH-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione (CID 91826703) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione is COC1=C(C)C(CO[Si](C)(C)C(C)(C)C)=CC(=O)C1=O.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione?
The InChIKey is LWNMCNGLFBWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-10-11(8-12(16)13(17)14(10)18-5)9-19-20(6,7)15(2,3)4/h8H,9H2,1-7H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione has a molecular weight of 296.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-4-methylcyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 91826703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).