2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one

C14H23F3O3Si — CID 46837223

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OC(CC1CC=CC(=O)O1)C(F)(F)F
InChIInChI=1S/C14H23F3O3Si/c1-13(2,3)21(4,5)20-11(14(15,16)17)9-10-7-6-8-12(18)19-10/h6,8,10-11H,7,9H2,1-5H3
InChIKeyKYPYMVMWRCELSV-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.20
Rot. Bonds4

About 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one

2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one (PubChem CID 46837223) has the molecular formula C14H23F3O3Si and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one
PubChem CID46837223
Molecular FormulaC14H23F3O3Si
Molecular Weight324.42 g/mol
Exact Mass324.14
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OC(CC1CC=CC(=O)O1)C(F)(F)F
InChIInChI=1S/C14H23F3O3Si/c1-13(2,3)21(4,5)20-11(14(15,16)17)9-10-7-6-8-12(18)19-10/h6,8,10-11H,7,9H2,1-5H3
InChIKeyKYPYMVMWRCELSV-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one
CID 54097710
Ethyl 12,12,12-trifluoro-11-methyl-11-triethylsilyloxydodeca-2,9-dienoate
CID 141012783
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
methyl (E)-3-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]prop-2-enoate
CID 11108924
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3H-pyran-6-one
CID 11346276
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 46944390
(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
CID 53343689
(S,e)-ethyl 6-(t-butyldimethylsilyloxy)hept-2-enoate
CID 129843282
(E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal
CID 134955049
(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 135020560

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one (CID 46837223) is 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one is CC(C)(C)[Si](C)(C)OC(CC1CC=CC(=O)O1)C(F)(F)F.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one?
The InChIKey is KYPYMVMWRCELSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O3Si/c1-13(2,3)21(4,5)20-11(14(15,16)17)9-10-7-6-8-12(18)19-10/h6,8,10-11H,7,9H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one?
2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one has a molecular weight of 324.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 46837223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).