tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane

C20H42O3Si2 — CID 102110479

IUPACtert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
SMILESC=CCC1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O3Si2/c1-12-13-16-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h12,16-18H,1,13-15H2,2-11H3/t16?,17-,18+/m0/s1
InChIKeyGTQCNEHRXKHHAH-UQJFVLDMSA-N
MW386.73 g/mol
LogP6.13
Rot. Bonds7

About tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane (PubChem CID 102110479) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
PubChem CID102110479
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Nametert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
SMILESC=CCC1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O3Si2/c1-12-13-16-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h12,16-18H,1,13-15H2,2-11H3/t16?,17-,18+/m0/s1
InChIKeyGTQCNEHRXKHHAH-UQJFVLDMSA-N
XLogP6.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 56.13
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane (CID 102110479) is tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane is C=CCC1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane?
The InChIKey is GTQCNEHRXKHHAH-UQJFVLDMSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-12-13-16-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h12,16-18H,1,13-15H2,2-11H3/t16?,17-,18+/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane has a molecular weight of 386.73 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 102110479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).