(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one

C26H50O6Si2 — CID 10720614

IUPAC(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CCC(=O)O3)O2)O1
InChIInChI=1S/C26H50O6Si2/c1-25(2,3)33(7,8)28-17-23(32-34(9,10)26(4,5)6)22-14-13-19(30-22)18-11-12-20(29-18)21-15-16-24(27)31-21/h18-23H,11-17H2,1-10H3/t18-,19-,20-,21-,22-,23-/m1/s1
InChIKeyFFKHLPURTHRICR-YTAOHXRWSA-N
MW514.85 g/mol
LogP6.20
Rot. Bonds8

About (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one

(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one (PubChem CID 10720614) has the molecular formula C26H50O6Si2 and a molecular weight of 514.85 g/mol. Its IUPAC name is (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
PubChem CID10720614
Molecular FormulaC26H50O6Si2
Molecular Weight514.85 g/mol
Exact Mass514.31
IUPAC Name(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CCC(=O)O3)O2)O1
InChIInChI=1S/C26H50O6Si2/c1-25(2,3)33(7,8)28-17-23(32-34(9,10)26(4,5)6)22-14-13-19(30-22)18-11-12-20(29-18)21-15-16-24(27)31-21/h18-23H,11-17H2,1-10H3/t18-,19-,20-,21-,22-,23-/m1/s1
InChIKeyFFKHLPURTHRICR-YTAOHXRWSA-N
XLogP6.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.85
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-one
CID 11488203
(2R)-2-[(2S,5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one
CID 11799939
(5R)-5-[(2S,5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl]thiolan-2-yl]oxolan-2-one
CID 10530639
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
CID 10621168
(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11331126
(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10732272
(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
(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one
CID 11099459
[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
CID 10700553
[(1R)-1-[(2S,3aR,5R,6aR)-5-[(1R)-1-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] acetate
CID 102182234
[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
CID 10604124

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one?
The IUPAC name of (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one (CID 10720614) is (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CCC(=O)O3)O2)O1.
What is the InChIKey of (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one?
The InChIKey is FFKHLPURTHRICR-YTAOHXRWSA-N. The full InChI is InChI=1S/C26H50O6Si2/c1-25(2,3)33(7,8)28-17-23(32-34(9,10)26(4,5)6)22-14-13-19(30-22)18-11-12-20(29-18)21-15-16-24(27)31-21/h18-23H,11-17H2,1-10H3/t18-,19-,20-,21-,22-,23-/m1/s1.
What are the key properties of (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one?
(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one has a molecular weight of 514.85 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one is sourced from PubChem (CID 10720614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).