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

C17H34F2O4Si2 — CID 11047574

IUPAC(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
SMILESCC(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/C17H34F2O4Si2/c1-15(2,3)24(7,8)21-11-12-13(17(18,19)14(20)22-12)23-25(9,10)16(4,5)6/h12-13H,11H2,1-10H3/t12-,13-/m1/s1
InChIKeyJONRJZJEVOTNKZ-CHWSQXEVSA-N
MW396.62 g/mol
LogP4.96
Rot. Bonds5

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

(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one (PubChem CID 11047574) has the molecular formula C17H34F2O4Si2 and a molecular weight of 396.62 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
PubChem CID11047574
Molecular FormulaC17H34F2O4Si2
Molecular Weight396.62 g/mol
Exact Mass396.20
IUPAC Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
SMILESCC(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/C17H34F2O4Si2/c1-15(2,3)24(7,8)21-11-12-13(17(18,19)14(20)22-12)23-25(9,10)16(4,5)6/h12-13H,11H2,1-10H3/t12-,13-/m1/s1
InChIKeyJONRJZJEVOTNKZ-CHWSQXEVSA-N
XLogP4.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.96
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 (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one?
The IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one (CID 11047574) is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one is CC(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-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one?
The InChIKey is JONRJZJEVOTNKZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H34F2O4Si2/c1-15(2,3)24(7,8)21-11-12-13(17(18,19)14(20)22-12)23-25(9,10)16(4,5)6/h12-13H,11H2,1-10H3/t12-,13-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one?
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one has a molecular weight of 396.62 g/mol, XLogP of 4.96, 5 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-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 11047574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).