(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one

C18H36F2O4Si2 — CID 142756204

IUPAC(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
SMILESCC(C)(C)C[Si](C)(C)OC[C@H]1OC(=O)C(F)(F)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36F2O4Si2/c1-16(2,3)12-25(7,8)22-11-13-14(18(19,20)15(21)23-13)24-26(9,10)17(4,5)6/h13-14H,11-12H2,1-10H3/t13-,14-/m1/s1
InChIKeyKFSNWQRVWHCWOZ-ZIAGYGMSSA-N
MW410.65 g/mol
LogP5.21
Rot. Bonds6

About (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one

(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one (PubChem CID 142756204) has the molecular formula C18H36F2O4Si2 and a molecular weight of 410.65 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
PubChem CID142756204
Molecular FormulaC18H36F2O4Si2
Molecular Weight410.65 g/mol
Exact Mass410.21
IUPAC Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
SMILESCC(C)(C)C[Si](C)(C)OC[C@H]1OC(=O)C(F)(F)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36F2O4Si2/c1-16(2,3)12-25(7,8)22-11-13-14(18(19,20)15(21)23-13)24-26(9,10)17(4,5)6/h13-14H,11-12H2,1-10H3/t13-,14-/m1/s1
InChIKeyKFSNWQRVWHCWOZ-ZIAGYGMSSA-N
XLogP5.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 13477303
(6aR,9aS)-2,2,4,4-Tetraisopropyldihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8(6aH)-one
CID 10926866
(4R,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 134973989
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 10763314
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 11047574
(3S,4R,5R)-3-fluoro-4-((triisopropylsilyl)oxy)-5-(((triisopropylsilyl)oxy)methyl)-dihydrofuran-2(3H)-one
CID 44240200
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 44240461
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one
CID 54307141
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 57857439
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 58946409
(4R,5R)-3-fluoro-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 140897889
(3S,4R,5R)-3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 141643624

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one?
The IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one (CID 142756204) is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one is CC(C)(C)C[Si](C)(C)OC[C@H]1OC(=O)C(F)(F)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one?
The InChIKey is KFSNWQRVWHCWOZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H36F2O4Si2/c1-16(2,3)12-25(7,8)22-11-13-14(18(19,20)15(21)23-13)24-26(9,10)17(4,5)6/h13-14H,11-12H2,1-10H3/t13-,14-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one?
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one has a molecular weight of 410.65 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 142756204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).