(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one

C17H34F2O7Si2 — CID 88725732

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one
SMILESCC(C)(C)[Si](C)(C)OC(O)[C@@H](O)[C@@]1(O[Si](C)(C)C(C)(C)C)OOC(=O)C1(F)F
InChIInChI=1S/C17H34F2O7Si2/c1-14(2,3)27(7,8)24-12(21)11(20)17(16(18,19)13(22)23-25-17)26-28(9,10)15(4,5)6/h11-12,20-21H,1-10H3/t11-,12?,17+/m1/s1
InChIKeyGONOWWBARNRSEH-AURTYUHDSA-N
MW444.62 g/mol
LogP3.53
Rot. Bonds6

About (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one

(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one (PubChem CID 88725732) has the molecular formula C17H34F2O7Si2 and a molecular weight of 444.62 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one
PubChem CID88725732
Molecular FormulaC17H34F2O7Si2
Molecular Weight444.62 g/mol
Exact Mass444.18
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one
SMILESCC(C)(C)[Si](C)(C)OC(O)[C@@H](O)[C@@]1(O[Si](C)(C)C(C)(C)C)OOC(=O)C1(F)F
InChIInChI=1S/C17H34F2O7Si2/c1-14(2,3)27(7,8)24-12(21)11(20)17(16(18,19)13(22)23-25-17)26-28(9,10)15(4,5)6/h11-12,20-21H,1-10H3/t11-,12?,17+/m1/s1
InChIKeyGONOWWBARNRSEH-AURTYUHDSA-N
XLogP3.53
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one (CID 88725732) is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one is CC(C)(C)[Si](C)(C)OC(O)[C@@H](O)[C@@]1(O[Si](C)(C)C(C)(C)C)OOC(=O)C1(F)F.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one?
The InChIKey is GONOWWBARNRSEH-AURTYUHDSA-N. The full InChI is InChI=1S/C17H34F2O7Si2/c1-14(2,3)27(7,8)24-12(21)11(20)17(16(18,19)13(22)23-25-17)26-28(9,10)15(4,5)6/h11-12,20-21H,1-10H3/t11-,12?,17+/m1/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one?
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one has a molecular weight of 444.62 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one is sourced from PubChem (CID 88725732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).