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

C22H44O5Si2 — CID 10527291

IUPAC(5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]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]2CCC(=O)O2)O1
InChIInChI=1S/C22H44O5Si2/c1-21(2,3)28(7,8)24-15-19(27-29(9,10)22(4,5)6)18-12-11-16(25-18)17-13-14-20(23)26-17/h16-19H,11-15H2,1-10H3/t16-,17+,18-,19-/m1/s1
InChIKeyNQFLOBRLBIHDAF-FCGDIQPGSA-N
MW444.76 g/mol
LogP5.65
Rot. Bonds7

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

(5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one (PubChem CID 10527291) has the molecular formula C22H44O5Si2 and a molecular weight of 444.76 g/mol. Its IUPAC name is (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one
PubChem CID10527291
Molecular FormulaC22H44O5Si2
Molecular Weight444.76 g/mol
Exact Mass444.27
IUPAC Name(5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]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]2CCC(=O)O2)O1
InChIInChI=1S/C22H44O5Si2/c1-21(2,3)28(7,8)24-15-19(27-29(9,10)22(4,5)6)18-12-11-16(25-18)17-13-14-20(23)26-17/h16-19H,11-15H2,1-10H3/t16-,17+,18-,19-/m1/s1
InChIKeyNQFLOBRLBIHDAF-FCGDIQPGSA-N
XLogP5.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 15596056
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
CID 11784419
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
(5S)-5-[[tert-butyl(dimethyl)silyl]oxy-[(2S)-5-oxooxolan-2-yl]methyl]oxolan-2-one
CID 14658518
ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
(3R,5S)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-methyloxolan-2-one
CID 44604624
(2R,3S,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71733140
(2R,3S,3aR,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 102341292
(5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one
CID 134872932
(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one
CID 134939638
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
CID 10597039

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one?
The IUPAC name of (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one (CID 10527291) is (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]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]2CCC(=O)O2)O1.
What is the InChIKey of (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one?
The InChIKey is NQFLOBRLBIHDAF-FCGDIQPGSA-N. The full InChI is InChI=1S/C22H44O5Si2/c1-21(2,3)28(7,8)24-15-19(27-29(9,10)22(4,5)6)18-12-11-16(25-18)17-13-14-20(23)26-17/h16-19H,11-15H2,1-10H3/t16-,17+,18-,19-/m1/s1.
What are the key properties of (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one?
(5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one has a molecular weight of 444.76 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one is sourced from PubChem (CID 10527291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).