2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione

C17H24O2Si — CID 134924204

IUPAC2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione
SMILESC=CC/C=C/CC1=C([Si](C)(C)C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C17H24O2Si/c1-7-8-9-10-11-14-15(18)12(2)13(3)16(19)17(14)20(4,5)6/h7,9-10H,1,8,11H2,2-6H3/b10-9+
InChIKeyFPSLCMPUJYVURF-MDZDMXLPSA-N
MW288.46 g/mol
LogP4.17
Rot. Bonds5

About 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione

2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione (PubChem CID 134924204) has the molecular formula C17H24O2Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione
PubChem CID134924204
Molecular FormulaC17H24O2Si
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione
SMILESC=CC/C=C/CC1=C([Si](C)(C)C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C17H24O2Si/c1-7-8-9-10-11-14-15(18)12(2)13(3)16(19)17(14)20(4,5)6/h7,9-10H,1,8,11H2,2-6H3/b10-9+
InChIKeyFPSLCMPUJYVURF-MDZDMXLPSA-N
XLogP4.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione (CID 134924204) is 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione is C=CC/C=C/CC1=C([Si](C)(C)C)C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is FPSLCMPUJYVURF-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H24O2Si/c1-7-8-9-10-11-14-15(18)12(2)13(3)16(19)17(14)20(4,5)6/h7,9-10H,1,8,11H2,2-6H3/b10-9+.
What are the key properties of 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 288.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 134924204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).