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

C22H42O5Si2 — CID 10789351

IUPAC(2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-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]2C=CC(=O)O2)O1
InChIInChI=1S/C22H42O5Si2/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/h13-14,16-19H,11-12,15H2,1-10H3/t16-,17+,18-,19-/m1/s1
InChIKeyXHDCBGWUJMSPEL-FCGDIQPGSA-N
MW442.75 g/mol
LogP5.43
Rot. Bonds7

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

(2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one (PubChem CID 10789351) has the molecular formula C22H42O5Si2 and a molecular weight of 442.75 g/mol. Its IUPAC name is (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one
PubChem CID10789351
Molecular FormulaC22H42O5Si2
Molecular Weight442.75 g/mol
Exact Mass442.26
IUPAC Name(2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-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]2C=CC(=O)O2)O1
InChIInChI=1S/C22H42O5Si2/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/h13-14,16-19H,11-12,15H2,1-10H3/t16-,17+,18-,19-/m1/s1
InChIKeyXHDCBGWUJMSPEL-FCGDIQPGSA-N
XLogP5.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.75
LogP ≤ 55.43
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

(2S)-3-methyl-2-[(1R,2R)-2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
CID 10862237
[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate
CID 11619466
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
ethyl (E,7R,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101549967
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009693
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009694
ethyl (E)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135021497
ethyl (Z)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135024773
methyl (E)-3-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoate
CID 135067287
ethyl (E)-3-[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 138967741
5-Octenoic acid, 8-[tetrahydro-4-[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-2-furanyl]-8-[(trimethylsilyl)oxy]-, methyl ester
CID 5377058

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one (CID 10789351) is (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-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]2C=CC(=O)O2)O1.
What is the InChIKey of (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one?
The InChIKey is XHDCBGWUJMSPEL-FCGDIQPGSA-N. The full InChI is InChI=1S/C22H42O5Si2/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/h13-14,16-19H,11-12,15H2,1-10H3/t16-,17+,18-,19-/m1/s1.
What are the key properties of (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one?
(2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one has a molecular weight of 442.75 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 10789351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).