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

C22H44O5Si — CID 101224335

IUPAC(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol
SMILESC=CC[C@@H]1O[C@@H](C[C@H](O)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1C
InChIInChI=1S/C22H44O5Si/c1-10-11-20-16(2)12-18(27-20)13-19(23)21(25-15-24-7)17(3)14-26-28(8,9)22(4,5)6/h10,16-21,23H,1,11-15H2,2-9H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKeyFSRGCEUUWBFSFG-XUDSTZEESA-N
MW416.68 g/mol
LogP4.75
Rot. Bonds12

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

(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol (PubChem CID 101224335) has the molecular formula C22H44O5Si and a molecular weight of 416.68 g/mol. Its IUPAC name is (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol.

Molecular Properties

Compound Name(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol
PubChem CID101224335
Molecular FormulaC22H44O5Si
Molecular Weight416.68 g/mol
Exact Mass416.30
IUPAC Name(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol
SMILESC=CC[C@@H]1O[C@@H](C[C@H](O)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1C
InChIInChI=1S/C22H44O5Si/c1-10-11-20-16(2)12-18(27-20)13-19(23)21(25-15-24-7)17(3)14-26-28(8,9)22(4,5)6/h10,16-21,23H,1,11-15H2,2-9H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKeyFSRGCEUUWBFSFG-XUDSTZEESA-N
XLogP4.75
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.68
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol?
The IUPAC name of (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol (CID 101224335) is (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol.
What is the SMILES notation for (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol?
The canonical SMILES for (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol is C=CC[C@@H]1O[C@@H](C[C@H](O)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1C.
What is the InChIKey of (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol?
The InChIKey is FSRGCEUUWBFSFG-XUDSTZEESA-N. The full InChI is InChI=1S/C22H44O5Si/c1-10-11-20-16(2)12-18(27-20)13-19(23)21(25-15-24-7)17(3)14-26-28(8,9)22(4,5)6/h10,16-21,23H,1,11-15H2,2-9H3/t16-,17+,18+,19-,20-,21-/m0/s1.
What are the key properties of (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol?
(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol has a molecular weight of 416.68 g/mol, XLogP of 4.75, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-ol is sourced from PubChem (CID 101224335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).