2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one

C16H29FO2Si — CID 14177372

IUPAC2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one
SMILESCCCCCCCCC1(O[Si](C)(C)C)C=C(F)C(=O)C1
InChIInChI=1S/C16H29FO2Si/c1-5-6-7-8-9-10-11-16(19-20(2,3)4)12-14(17)15(18)13-16/h12H,5-11,13H2,1-4H3
InChIKeyVUBOMDJRENTTMP-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.15
Rot. Bonds9

About 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one

2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one (PubChem CID 14177372) has the molecular formula C16H29FO2Si and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one
PubChem CID14177372
Molecular FormulaC16H29FO2Si
Molecular Weight300.49 g/mol
Exact Mass300.19
IUPAC Name2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one
SMILESCCCCCCCCC1(O[Si](C)(C)C)C=C(F)C(=O)C1
InChIInChI=1S/C16H29FO2Si/c1-5-6-7-8-9-10-11-16(19-20(2,3)4)12-14(17)15(18)13-16/h12H,5-11,13H2,1-4H3
InChIKeyVUBOMDJRENTTMP-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'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 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one (CID 14177372) is 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one is CCCCCCCCC1(O[Si](C)(C)C)C=C(F)C(=O)C1.
What is the InChIKey of 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one?
The InChIKey is VUBOMDJRENTTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO2Si/c1-5-6-7-8-9-10-11-16(19-20(2,3)4)12-14(17)15(18)13-16/h12H,5-11,13H2,1-4H3.
What are the key properties of 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one?
2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one has a molecular weight of 300.49 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-octyl-4-trimethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 14177372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).