4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one

C18H36O3Si2 — CID 20515531

IUPAC4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCCCCCCCC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C18H36O3Si2/c1-22(2,3)20-13-11-9-7-8-10-12-16-14-17(15-18(16)19)21-23(4,5)6/h14,17H,7-13,15H2,1-6H3
InChIKeySHXRLOCGHSFLIX-UHFFFAOYSA-N
MW356.66 g/mol
LogP5.30
Rot. Bonds11

About 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one

4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one (PubChem CID 20515531) has the molecular formula C18H36O3Si2 and a molecular weight of 356.66 g/mol. Its IUPAC name is 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one
PubChem CID20515531
Molecular FormulaC18H36O3Si2
Molecular Weight356.66 g/mol
Exact Mass356.22
IUPAC Name4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCCCCCCCC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C18H36O3Si2/c1-22(2,3)20-13-11-9-7-8-10-12-16-14-17(15-18(16)19)21-23(4,5)6/h14,17H,7-13,15H2,1-6H3
InChIKeySHXRLOCGHSFLIX-UHFFFAOYSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.66
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one?
The IUPAC name of 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one (CID 20515531) is 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one is C[Si](C)(C)OCCCCCCCC1=CC(O[Si](C)(C)C)CC1=O.
What is the InChIKey of 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one?
The InChIKey is SHXRLOCGHSFLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si2/c1-22(2,3)20-13-11-9-7-8-10-12-16-14-17(15-18(16)19)21-23(4,5)6/h14,17H,7-13,15H2,1-6H3.
What are the key properties of 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one?
4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one has a molecular weight of 356.66 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxy-2-(7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one is sourced from PubChem (CID 20515531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).