tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane

C22H46O5Si2 — CID 138980909

IUPACtert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane
SMILESCC1(C)OC[C@@H]([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C22H46O5Si2/c1-20(2,3)28(9,10)24-15-18-17(27-29(11,12)21(4,5)6)13-16(25-18)19-14-23-22(7,8)26-19/h16-19H,13-15H2,1-12H3/t16-,17+,18-,19+/m1/s1
InChIKeyBIFRCBOAEGGZBA-HCXYKTFWSA-N
MW446.78 g/mol
LogP5.71
Rot. Bonds6

About tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane (PubChem CID 138980909) has the molecular formula C22H46O5Si2 and a molecular weight of 446.78 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane
PubChem CID138980909
Molecular FormulaC22H46O5Si2
Molecular Weight446.78 g/mol
Exact Mass446.29
IUPAC Nametert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane
SMILESCC1(C)OC[C@@H]([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C22H46O5Si2/c1-20(2,3)28(9,10)24-15-18-17(27-29(11,12)21(4,5)6)13-16(25-18)19-14-23-22(7,8)26-19/h16-19H,13-15H2,1-12H3/t16-,17+,18-,19+/m1/s1
InChIKeyBIFRCBOAEGGZBA-HCXYKTFWSA-N
XLogP5.71
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.78
LogP ≤ 55.71
H-Bond Donors ≤ 50
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 tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane (CID 138980909) is tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane is CC1(C)OC[C@@H]([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane?
The InChIKey is BIFRCBOAEGGZBA-HCXYKTFWSA-N. The full InChI is InChI=1S/C22H46O5Si2/c1-20(2,3)28(9,10)24-15-18-17(27-29(11,12)21(4,5)6)13-16(25-18)19-14-23-22(7,8)26-19/h16-19H,13-15H2,1-12H3/t16-,17+,18-,19+/m1/s1.
What are the key properties of tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane has a molecular weight of 446.78 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 138980909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).