(4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one

C11H22F2O4Si2 — CID 142756203

IUPAC(4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one
SMILESC[Si](C)(C)OC[C@H]1OC(=O)C(F)(F)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C11H22F2O4Si2/c1-18(2,3)15-7-8-9(17-19(4,5)6)11(12,13)10(14)16-8/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyNBVJQTDOOZVPPI-RKDXNWHRSA-N
MW312.46 g/mol
LogP2.62
Rot. Bonds5

About (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one

(4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one (PubChem CID 142756203) has the molecular formula C11H22F2O4Si2 and a molecular weight of 312.46 g/mol. Its IUPAC name is (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one
PubChem CID142756203
Molecular FormulaC11H22F2O4Si2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name(4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one
SMILESC[Si](C)(C)OC[C@H]1OC(=O)C(F)(F)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C11H22F2O4Si2/c1-18(2,3)15-7-8-9(17-19(4,5)6)11(12,13)10(14)16-8/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyNBVJQTDOOZVPPI-RKDXNWHRSA-N
XLogP2.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.62
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-Trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 523334
4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 13477303
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(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
3-(2,2-Diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-trimethylsilyloxypropanoic acid
CID 19930561
(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
methyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-trimethylsilyloxypropanoate
CID 54130462
(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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one?
The IUPAC name of (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one (CID 142756203) is (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one?
The canonical SMILES for (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one is C[Si](C)(C)OC[C@H]1OC(=O)C(F)(F)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one?
The InChIKey is NBVJQTDOOZVPPI-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H22F2O4Si2/c1-18(2,3)15-7-8-9(17-19(4,5)6)11(12,13)10(14)16-8/h8-9H,7H2,1-6H3/t8-,9-/m1/s1.
What are the key properties of (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one?
(4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one has a molecular weight of 312.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3,3-difluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one is sourced from PubChem (CID 142756203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).