2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione

C12H18O4Si — CID 14689914

IUPAC2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(OC)C(=O)C(C[Si](C)(C)C)=CC1=O
InChIInChI=1S/C12H18O4Si/c1-15-11-9(13)6-8(7-17(3,4)5)10(14)12(11)16-2/h6H,7H2,1-5H3
InChIKeyGYKJQMRMROAMAW-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.91
Rot. Bonds4

About 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione

2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 14689914) has the molecular formula C12H18O4Si and a molecular weight of 254.36 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID14689914
Molecular FormulaC12H18O4Si
Molecular Weight254.36 g/mol
Exact Mass254.10
IUPAC Name2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(OC)C(=O)C(C[Si](C)(C)C)=CC1=O
InChIInChI=1S/C12H18O4Si/c1-15-11-9(13)6-8(7-17(3,4)5)10(14)12(11)16-2/h6H,7H2,1-5H3
InChIKeyGYKJQMRMROAMAW-UHFFFAOYSA-N
XLogP1.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
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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Related Compounds

2,3-Dimethoxy-5-methyl-1,4-benzoquinone
CID 69068
2-Methoxy-6-Methyl-1,4-Benzoquinone
CID 101355
3-Methoxy-2,5-dimethylcyclohexa-2,5-diene-1,4-dione
CID 12361066
3-Methyl-2-[(2-methylpropan-2-yl)oxy]-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione
CID 14562991
2,3-Dimethoxy-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione
CID 85574262
d1-Ubiquinone
CID 46850868
2,5-Dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 15360237
3-methoxy-2-(111C)methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CID 451224
2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 10853454
2-Butyl-3-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 14689918
2,3,5-trimethoxy-6-[(Z)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 15203786
2,3-dimethoxy-5-methyl-6-[(2E,6Z,9E)-3,7,9-trimethyl-10-trimethylsilyldeca-2,6,9-trienyl]pyran-4-one
CID 46938966

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione (CID 14689914) is 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione is COC1=C(OC)C(=O)C(C[Si](C)(C)C)=CC1=O.
What is the InChIKey of 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is GYKJQMRMROAMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4Si/c1-15-11-9(13)6-8(7-17(3,4)5)10(14)12(11)16-2/h6H,7H2,1-5H3.
What are the key properties of 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 254.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 14689914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).