2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione

C16H24O5Si — CID 10853454

IUPAC2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione
SMILESCC/C=C(\C1=C(OC)C(=O)C(OC)=C(OC)C1=O)[Si](C)(C)C
InChIInChI=1S/C16H24O5Si/c1-8-9-10(22(5,6)7)11-12(17)15(20-3)16(21-4)13(18)14(11)19-2/h9H,8H2,1-7H3/b10-9+
InChIKeyMVFCJKSOJBUEKN-MDZDMXLPSA-N
MW324.45 g/mol
LogP2.76
Rot. Bonds6

About 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione

2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione (PubChem CID 10853454) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione
PubChem CID10853454
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione
SMILESCC/C=C(\C1=C(OC)C(=O)C(OC)=C(OC)C1=O)[Si](C)(C)C
InChIInChI=1S/C16H24O5Si/c1-8-9-10(22(5,6)7)11-12(17)15(20-3)16(21-4)13(18)14(11)19-2/h9H,8H2,1-7H3/b10-9+
InChIKeyMVFCJKSOJBUEKN-MDZDMXLPSA-N
XLogP2.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione (CID 10853454) is 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione is CC/C=C(\C1=C(OC)C(=O)C(OC)=C(OC)C1=O)[Si](C)(C)C.
What is the InChIKey of 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is MVFCJKSOJBUEKN-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H24O5Si/c1-8-9-10(22(5,6)7)11-12(17)15(20-3)16(21-4)13(18)14(11)19-2/h9H,8H2,1-7H3/b10-9+.
What are the key properties of 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione?
2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 324.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethoxy-6-[(E)-1-trimethylsilylbut-1-enyl]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10853454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).