4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate

C13H21F3O4Si — CID 101003543

IUPAC4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate
SMILESCC(CCC1OC(=O)CC1[Si](C)(C)C)OC(=O)C(F)(F)F
InChIInChI=1S/C13H21F3O4Si/c1-8(19-12(18)13(14,15)16)5-6-9-10(21(2,3)4)7-11(17)20-9/h8-10H,5-7H2,1-4H3
InChIKeyDLZUZNYMUOXAQY-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.28
Rot. Bonds5

About 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate

4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate (PubChem CID 101003543) has the molecular formula C13H21F3O4Si and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate
PubChem CID101003543
Molecular FormulaC13H21F3O4Si
Molecular Weight326.39 g/mol
Exact Mass326.12
IUPAC Name4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate
SMILESCC(CCC1OC(=O)CC1[Si](C)(C)C)OC(=O)C(F)(F)F
InChIInChI=1S/C13H21F3O4Si/c1-8(19-12(18)13(14,15)16)5-6-9-10(21(2,3)4)7-11(17)20-9/h8-10H,5-7H2,1-4H3
InChIKeyDLZUZNYMUOXAQY-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate (CID 101003543) is 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate is CC(CCC1OC(=O)CC1[Si](C)(C)C)OC(=O)C(F)(F)F.
What is the InChIKey of 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate?
The InChIKey is DLZUZNYMUOXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O4Si/c1-8(19-12(18)13(14,15)16)5-6-9-10(21(2,3)4)7-11(17)20-9/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate?
4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate has a molecular weight of 326.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-3-trimethylsilyloxolan-2-yl)butan-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 101003543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).