[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol

C20H40O5Si — CID 15981859

IUPAC[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1O[C@H](CO)C[C@H]1OC1CCCCO1
InChIInChI=1S/C20H40O5Si/c1-15(14-23-26(5,6)20(2,3)4)11-17-18(12-16(13-21)24-17)25-19-9-7-8-10-22-19/h15-19,21H,7-14H2,1-6H3/t15-,16+,17-,18-,19?/m1/s1
InChIKeyGGOUBRIWROCZJK-DZGDQSPQSA-N
MW388.62 g/mol
LogP4.10
Rot. Bonds8

About [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol

[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol (PubChem CID 15981859) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
PubChem CID15981859
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Name[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1O[C@H](CO)C[C@H]1OC1CCCCO1
InChIInChI=1S/C20H40O5Si/c1-15(14-23-26(5,6)20(2,3)4)11-17-18(12-16(13-21)24-17)25-19-9-7-8-10-22-19/h15-19,21H,7-14H2,1-6H3/t15-,16+,17-,18-,19?/m1/s1
InChIKeyGGOUBRIWROCZJK-DZGDQSPQSA-N
XLogP4.10
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(7-hydroxy-3,7-dimethyloctoxy)oxane-3,4,5-triol
CID 145963176
US11241393, Sil 3
CID 59502263
US11241393, Sil 2
CID 59502273
(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 134878312
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol
CID 126476615
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-octyldodecoxy]oxane-3,4,5-triol
CID 164946640
(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
CID 10961103
[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 10962484
(2S,3S,4R,5S,6R)-2-(bromomethyl)-6-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-5-methyloxan-3-ol
CID 11092474
[(2S,3R,6S,8R,9S)-3-butyl-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 11214911
(2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol
CID 11272660
(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
CID 11450963

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol?
The IUPAC name of [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol (CID 15981859) is [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol is C[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1O[C@H](CO)C[C@H]1OC1CCCCO1.
What is the InChIKey of [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol?
The InChIKey is GGOUBRIWROCZJK-DZGDQSPQSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-15(14-23-26(5,6)20(2,3)4)11-17-18(12-16(13-21)24-17)25-19-9-7-8-10-22-19/h15-19,21H,7-14H2,1-6H3/t15-,16+,17-,18-,19?/m1/s1.
What are the key properties of [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol?
[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol has a molecular weight of 388.62 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol is sourced from PubChem (CID 15981859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).