(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one

C12H23FO3Si — CID 10400493

IUPAC(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1CF
InChIInChI=1S/C12H23FO3Si/c1-12(2,3)17(4,5)15-8-10-9(7-13)6-11(14)16-10/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyUGJIRRYDFXKLJB-NXEZZACHSA-N
MW262.40 g/mol
LogP2.91
Rot. Bonds4

About (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one (PubChem CID 10400493) has the molecular formula C12H23FO3Si and a molecular weight of 262.40 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one
PubChem CID10400493
Molecular FormulaC12H23FO3Si
Molecular Weight262.40 g/mol
Exact Mass262.14
IUPAC Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1CF
InChIInChI=1S/C12H23FO3Si/c1-12(2,3)17(4,5)15-8-10-9(7-13)6-11(14)16-10/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyUGJIRRYDFXKLJB-NXEZZACHSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.91
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

(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10709198
(5S)-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-one
CID 10014094
2,3-Dideoxy-3-C-methyl-5-O-tert-butyldimethylsilyl-D-erythro-pentono-1,4-lactone
CID 102292925
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10732826
(3R,4R,5S)-5-(butoxymethyl)-3-fluoro-4-methyloxolan-2-one
CID 68044942
(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one
CID 146018118
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one
CID 146018119
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10901006
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 9999501
(4S,5S)-4,5-dimethyl-3-trimethylsilyloxolan-2-one
CID 21677062
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)dihydro-2(3H)-furanone
CID 14159547

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one (CID 10400493) is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1CF.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one?
The InChIKey is UGJIRRYDFXKLJB-NXEZZACHSA-N. The full InChI is InChI=1S/C12H23FO3Si/c1-12(2,3)17(4,5)15-8-10-9(7-13)6-11(14)16-10/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one?
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one has a molecular weight of 262.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one is sourced from PubChem (CID 10400493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).