(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one

C24H51FO5Si3 — CID 140966522

IUPAC(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F
InChIInChI=1S/C24H51FO5Si3/c1-22(2,3)31(10,11)27-16-17-18(25)19(29-32(12,13)23(4,5)6)20(21(26)28-17)30-33(14,15)24(7,8)9/h17-20H,16H2,1-15H3/t17-,18-,19+,20-/m1/s1
InChIKeyCKSOHNRJAPWNEW-YSTOQKLRSA-N
MW522.92 g/mol
LogP7.05
Rot. Bonds7

About (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one

(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one (PubChem CID 140966522) has the molecular formula C24H51FO5Si3 and a molecular weight of 522.92 g/mol. Its IUPAC name is (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one.

Molecular Properties

Compound Name(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
PubChem CID140966522
Molecular FormulaC24H51FO5Si3
Molecular Weight522.92 g/mol
Exact Mass522.30
IUPAC Name(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F
InChIInChI=1S/C24H51FO5Si3/c1-22(2,3)31(10,11)27-16-17-18(25)19(29-32(12,13)23(4,5)6)20(21(26)28-17)30-33(14,15)24(7,8)9/h17-20H,16H2,1-15H3/t17-,18-,19+,20-/m1/s1
InChIKeyCKSOHNRJAPWNEW-YSTOQKLRSA-N
XLogP7.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.92
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one?
The IUPAC name of (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one (CID 140966522) is (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one.
What is the SMILES notation for (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one?
The canonical SMILES for (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F.
What is the InChIKey of (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one?
The InChIKey is CKSOHNRJAPWNEW-YSTOQKLRSA-N. The full InChI is InChI=1S/C24H51FO5Si3/c1-22(2,3)31(10,11)27-16-17-18(25)19(29-32(12,13)23(4,5)6)20(21(26)28-17)30-33(14,15)24(7,8)9/h17-20H,16H2,1-15H3/t17-,18-,19+,20-/m1/s1.
What are the key properties of (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one?
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one has a molecular weight of 522.92 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one is sourced from PubChem (CID 140966522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).