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

C22H46O4Si2 — CID 11729683

IUPAC3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol
SMILESC=CC[C@H]1O[C@@H](CCCO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-12-14-17-19(25-27(8,9)21(2,3)4)20(18(24-17)15-13-16-23)26-28(10,11)22(5,6)7/h12,17-20,23H,1,13-16H2,2-11H3/t17-,18+,19-,20-/m1/s1
InChIKeyLYUYAMSBVJEWEW-IYWMVGAKSA-N
MW430.78 g/mol
LogP5.88
Rot. Bonds9

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

3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol (PubChem CID 11729683) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol
PubChem CID11729683
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Name3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol
SMILESC=CC[C@H]1O[C@@H](CCCO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-12-14-17-19(25-27(8,9)21(2,3)4)20(18(24-17)15-13-16-23)26-28(10,11)22(5,6)7/h12,17-20,23H,1,13-16H2,2-11H3/t17-,18+,19-,20-/m1/s1
InChIKeyLYUYAMSBVJEWEW-IYWMVGAKSA-N
XLogP5.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol (CID 11729683) is 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol is C=CC[C@H]1O[C@@H](CCCO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol?
The InChIKey is LYUYAMSBVJEWEW-IYWMVGAKSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-12-14-17-19(25-27(8,9)21(2,3)4)20(18(24-17)15-13-16-23)26-28(10,11)22(5,6)7/h12,17-20,23H,1,13-16H2,2-11H3/t17-,18+,19-,20-/m1/s1.
What are the key properties of 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol?
3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol has a molecular weight of 430.78 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol is sourced from PubChem (CID 11729683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).