(7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one

C11H19FO2Si — CID 14737058

IUPAC(7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
SMILESC[Si](C)(C)/C1=C(/F)C(=O)OCCCCC1
InChIInChI=1S/C11H19FO2Si/c1-15(2,3)9-7-5-4-6-8-14-11(13)10(9)12/h4-8H2,1-3H3/b10-9+
InChIKeyUACKEEBPJFXUOT-MDZDMXLPSA-N
MW230.35 g/mol
LogP3.20
Rot. Bonds1

About (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one

(7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one (PubChem CID 14737058) has the molecular formula C11H19FO2Si and a molecular weight of 230.35 g/mol. Its IUPAC name is (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one.

Molecular Properties

Compound Name(7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
PubChem CID14737058
Molecular FormulaC11H19FO2Si
Molecular Weight230.35 g/mol
Exact Mass230.11
IUPAC Name(7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
SMILESC[Si](C)(C)/C1=C(/F)C(=O)OCCCCC1
InChIInChI=1S/C11H19FO2Si/c1-15(2,3)9-7-5-4-6-8-14-11(13)10(9)12/h4-8H2,1-3H3/b10-9+
InChIKeyUACKEEBPJFXUOT-MDZDMXLPSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one?
The IUPAC name of (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one (CID 14737058) is (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one.
What is the SMILES notation for (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one?
The canonical SMILES for (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one is C[Si](C)(C)/C1=C(/F)C(=O)OCCCCC1.
What is the InChIKey of (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one?
The InChIKey is UACKEEBPJFXUOT-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H19FO2Si/c1-15(2,3)9-7-5-4-6-8-14-11(13)10(9)12/h4-8H2,1-3H3/b10-9+.
What are the key properties of (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one?
(7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one has a molecular weight of 230.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one is sourced from PubChem (CID 14737058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).