3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol

C22H48O5Si2 — CID 44515758

IUPAC3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
SMILESCC1(C)O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](CCCO)O1
InChIInChI=1S/C22H48O5Si2/c1-20(2,3)28(9,10)24-16-18(27-29(11,12)21(4,5)6)19-17(14-13-15-23)25-22(7,8)26-19/h17-19,23H,13-16H2,1-12H3/t17-,18+,19-/m0/s1
InChIKeyGUEQWUYWTHWTHL-OTWHNJEPSA-N
MW448.79 g/mol
LogP5.69
Rot. Bonds9

About 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol

3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol (PubChem CID 44515758) has the molecular formula C22H48O5Si2 and a molecular weight of 448.79 g/mol. Its IUPAC name is 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
PubChem CID44515758
Molecular FormulaC22H48O5Si2
Molecular Weight448.79 g/mol
Exact Mass448.30
IUPAC Name3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
SMILESCC1(C)O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](CCCO)O1
InChIInChI=1S/C22H48O5Si2/c1-20(2,3)28(9,10)24-16-18(27-29(11,12)21(4,5)6)19-17(14-13-15-23)25-22(7,8)26-19/h17-19,23H,13-16H2,1-12H3/t17-,18+,19-/m0/s1
InChIKeyGUEQWUYWTHWTHL-OTWHNJEPSA-N
XLogP5.69
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.79
LogP ≤ 55.69
H-Bond Donors ≤ 51
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 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The IUPAC name of 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol (CID 44515758) is 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The canonical SMILES for 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol is CC1(C)O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](CCCO)O1.
What is the InChIKey of 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The InChIKey is GUEQWUYWTHWTHL-OTWHNJEPSA-N. The full InChI is InChI=1S/C22H48O5Si2/c1-20(2,3)28(9,10)24-16-18(27-29(11,12)21(4,5)6)19-17(14-13-15-23)25-22(7,8)26-19/h17-19,23H,13-16H2,1-12H3/t17-,18+,19-/m0/s1.
What are the key properties of 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol has a molecular weight of 448.79 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol is sourced from PubChem (CID 44515758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).