6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one

C19H34O5Si2 — CID 10548913

IUPAC6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one
SMILESCOC1=C(OC)C(O)=C(OC(C)(C)C)C(=C([Si](C)(C)C)[Si](C)(C)C)C1=O
InChIInChI=1S/C19H34O5Si2/c1-19(2,3)24-15-12(18(25(6,7)8)26(9,10)11)13(20)16(22-4)17(23-5)14(15)21/h21H,1-11H3
InChIKeyIRIIAFHFZPDGTD-UHFFFAOYSA-N
MW398.65 g/mol
LogP4.71
Rot. Bonds5

About 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one

6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one (PubChem CID 10548913) has the molecular formula C19H34O5Si2 and a molecular weight of 398.65 g/mol. Its IUPAC name is 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one
PubChem CID10548913
Molecular FormulaC19H34O5Si2
Molecular Weight398.65 g/mol
Exact Mass398.19
IUPAC Name6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one
SMILESCOC1=C(OC)C(O)=C(OC(C)(C)C)C(=C([Si](C)(C)C)[Si](C)(C)C)C1=O
InChIInChI=1S/C19H34O5Si2/c1-19(2,3)24-15-12(18(25(6,7)8)26(9,10)11)13(20)16(22-4)17(23-5)14(15)21/h21H,1-11H3
InChIKeyIRIIAFHFZPDGTD-UHFFFAOYSA-N
XLogP4.71
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.65
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one (CID 10548913) is 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one is COC1=C(OC)C(O)=C(OC(C)(C)C)C(=C([Si](C)(C)C)[Si](C)(C)C)C1=O.
What is the InChIKey of 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one?
The InChIKey is IRIIAFHFZPDGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5Si2/c1-19(2,3)24-15-12(18(25(6,7)8)26(9,10)11)13(20)16(22-4)17(23-5)14(15)21/h21H,1-11H3.
What are the key properties of 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one?
6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one has a molecular weight of 398.65 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(trimethylsilyl)methylidene]-4-hydroxy-2,3-dimethoxy-5-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 10548913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).