(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one

C24H50O6Si3 — CID 70622691

IUPAC(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)C(O[Si](C)(C)C(C)(C)C)=C1O
InChIInChI=1S/C24H50O6Si3/c1-22(2,3)31(10,11)27-16-17(29-32(12,13)23(4,5)6)19-18(25)20(21(26)28-19)30-33(14,15)24(7,8)9/h17,19,25H,16H2,1-15H3/t17-,19+/m0/s1
InChIKeySYRSSQUWAFXGEQ-PKOBYXMFSA-N
MW518.92 g/mol
LogP7.12
Rot. Bonds8

About (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one

(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one (PubChem CID 70622691) has the molecular formula C24H50O6Si3 and a molecular weight of 518.92 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one
PubChem CID70622691
Molecular FormulaC24H50O6Si3
Molecular Weight518.92 g/mol
Exact Mass518.29
IUPAC Name(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)C(O[Si](C)(C)C(C)(C)C)=C1O
InChIInChI=1S/C24H50O6Si3/c1-22(2,3)31(10,11)27-16-17(29-32(12,13)23(4,5)6)19-18(25)20(21(26)28-19)30-33(14,15)24(7,8)9/h17,19,25H,16H2,1-15H3/t17-,19+/m0/s1
InChIKeySYRSSQUWAFXGEQ-PKOBYXMFSA-N
XLogP7.12
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.92
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one (CID 70622691) is (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one is CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)C(O[Si](C)(C)C(C)(C)C)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one?
The InChIKey is SYRSSQUWAFXGEQ-PKOBYXMFSA-N. The full InChI is InChI=1S/C24H50O6Si3/c1-22(2,3)31(10,11)27-16-17(29-32(12,13)23(4,5)6)19-18(25)20(21(26)28-19)30-33(14,15)24(7,8)9/h17,19,25H,16H2,1-15H3/t17-,19+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one has a molecular weight of 518.92 g/mol, XLogP of 7.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 70622691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).