tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane

C32H50O3Si2 — CID 71489703

IUPACtert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane
SMILESC=CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C32H50O3Si2/c1-10-17-26-24-28(35-36(8,9)31(2,3)4)25-27(34-26)22-23-33-37(32(5,6)7,29-18-13-11-14-19-29)30-20-15-12-16-21-30/h10-16,18-21,26-28H,1,17,22-25H2,2-9H3/t26-,27-,28+/m0/s1
InChIKeyGXZPLMMCGMOACR-HZFUHODCSA-N
MW538.92 g/mol
LogP7.47
Rot. Bonds10

About tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane (PubChem CID 71489703) has the molecular formula C32H50O3Si2 and a molecular weight of 538.92 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane
PubChem CID71489703
Molecular FormulaC32H50O3Si2
Molecular Weight538.92 g/mol
Exact Mass538.33
IUPAC Nametert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane
SMILESC=CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C32H50O3Si2/c1-10-17-26-24-28(35-36(8,9)31(2,3)4)25-27(34-26)22-23-33-37(32(5,6)7,29-18-13-11-14-19-29)30-20-15-12-16-21-30/h10-16,18-21,26-28H,1,17,22-25H2,2-9H3/t26-,27-,28+/m0/s1
InChIKeyGXZPLMMCGMOACR-HZFUHODCSA-N
XLogP7.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.92
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane
CID 164625594
tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane
CID 15249300
Silane, diphenylheptyloxy(tetradec-3-en-1-yloxy)-
CID 91732633
Silane, diphenyloctyloxy(tetradec-3-en-1-yloxy)-
CID 91732636
Silane, diphenylnonyloxy(tetradec-3-en-1-yloxy)-
CID 91732639
Silane, diphenyl(2-decyloxy)ethoxy-
CID 91736306
Silane, diphenyl(2-decyloxy)propoxy-
CID 91737875
Silane, diphenyl(2-decyloxy)isobutoxy-
CID 91738924
Silane, diphenylbutoxy(2-decyloxy)-
CID 91738959
Silane, diphenyl(2-decyloxy)pentyloxy-
CID 91740053
Silane, diphenyl(2-decyloxy)hexyloxy-
CID 91740886
Silane, diphenylheptyloxy(pent-4-en-2-yloxy)-
CID 91741474

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane (CID 71489703) is tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane is C=CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane?
The InChIKey is GXZPLMMCGMOACR-HZFUHODCSA-N. The full InChI is InChI=1S/C32H50O3Si2/c1-10-17-26-24-28(35-36(8,9)31(2,3)4)25-27(34-26)22-23-33-37(32(5,6)7,29-18-13-11-14-19-29)30-20-15-12-16-21-30/h10-16,18-21,26-28H,1,17,22-25H2,2-9H3/t26-,27-,28+/m0/s1.
What are the key properties of tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane has a molecular weight of 538.92 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enyloxan-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 71489703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).