cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane

C18H31F3O2Si — CID 162540808

IUPACcyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane
SMILESC=CCC(CC(CCC)C(F)(F)F)O[Si](C)(C)C.O=C1C=CCC1
InChIInChI=1S/C13H25F3OSi.C5H6O/c1-6-8-11(13(14,15)16)10-12(9-7-2)17-18(3,4)5;6-5-3-1-2-4-5/h7,11-12H,2,6,8-10H2,1,3-5H3;1,3H,2,4H2
InChIKeyZXSMSOXYKNVINJ-UHFFFAOYSA-N
MW364.52 g/mol
LogP6.06
Rot. Bonds8

About cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane

cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane (PubChem CID 162540808) has the molecular formula C18H31F3O2Si and a molecular weight of 364.52 g/mol. Its IUPAC name is cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane.

Molecular Properties

Compound Namecyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane
PubChem CID162540808
Molecular FormulaC18H31F3O2Si
Molecular Weight364.52 g/mol
Exact Mass364.20
IUPAC Namecyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane
SMILESC=CCC(CC(CCC)C(F)(F)F)O[Si](C)(C)C.O=C1C=CCC1
InChIInChI=1S/C13H25F3OSi.C5H6O/c1-6-8-11(13(14,15)16)10-12(9-7-2)17-18(3,4)5;6-5-3-1-2-4-5/h7,11-12H,2,6,8-10H2,1,3-5H3;1,3H,2,4H2
InChIKeyZXSMSOXYKNVINJ-UHFFFAOYSA-N
XLogP6.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.52
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane?
The IUPAC name of cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane (CID 162540808) is cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane.
What is the SMILES notation for cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane?
The canonical SMILES for cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane is C=CCC(CC(CCC)C(F)(F)F)O[Si](C)(C)C.O=C1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane?
The InChIKey is ZXSMSOXYKNVINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3OSi.C5H6O/c1-6-8-11(13(14,15)16)10-12(9-7-2)17-18(3,4)5;6-5-3-1-2-4-5/h7,11-12H,2,6,8-10H2,1,3-5H3;1,3H,2,4H2.
What are the key properties of cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane?
cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane has a molecular weight of 364.52 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-one;trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane is sourced from PubChem (CID 162540808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).