(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol

C21H44O5Si2 — CID 89096983

IUPAC(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol
SMILESC=CC[C@]1(O)C(OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O5Si2/c1-13-14-21(22)17(26-28(11,12)20(5,6)7)16(25-18(21)23-8)15-24-27(9,10)19(2,3)4/h13,16-18,22H,1,14-15H2,2-12H3/t16-,17-,18?,21-/m1/s1
InChIKeyHCEIKVMAWCKVCS-WXIGMUJPSA-N
MW432.75 g/mol
LogP5.08
Rot. Bonds8

About (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol

(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol (PubChem CID 89096983) has the molecular formula C21H44O5Si2 and a molecular weight of 432.75 g/mol. Its IUPAC name is (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol
PubChem CID89096983
Molecular FormulaC21H44O5Si2
Molecular Weight432.75 g/mol
Exact Mass432.27
IUPAC Name(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol
SMILESC=CC[C@]1(O)C(OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O5Si2/c1-13-14-21(22)17(26-28(11,12)20(5,6)7)16(25-18(21)23-8)15-24-27(9,10)19(2,3)4/h13,16-18,22H,1,14-15H2,2-12H3/t16-,17-,18?,21-/m1/s1
InChIKeyHCEIKVMAWCKVCS-WXIGMUJPSA-N
XLogP5.08
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.75
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol?
The IUPAC name of (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol (CID 89096983) is (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol?
The canonical SMILES for (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol is C=CC[C@]1(O)C(OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol?
The InChIKey is HCEIKVMAWCKVCS-WXIGMUJPSA-N. The full InChI is InChI=1S/C21H44O5Si2/c1-13-14-21(22)17(26-28(11,12)20(5,6)7)16(25-18(21)23-8)15-24-27(9,10)19(2,3)4/h13,16-18,22H,1,14-15H2,2-12H3/t16-,17-,18?,21-/m1/s1.
What are the key properties of (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol?
(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol has a molecular weight of 432.75 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 89096983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).