(2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol

C24H48O4Si — CID 11037372

IUPAC(2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol
SMILESCCCCCCCC/C=C/[C@@H]1O[C@H]([C@@H](O)CCO[Si](C)(C)C(C)(C)C)CC[C@H]1O
InChIInChI=1S/C24H48O4Si/c1-7-8-9-10-11-12-13-14-15-22-20(25)16-17-23(28-22)21(26)18-19-27-29(5,6)24(2,3)4/h14-15,20-23,25-26H,7-13,16-19H2,1-6H3/b15-14+/t20-,21+,22+,23+/m1/s1
InChIKeyXOLFJLKBAGNXBH-RGXLDMOGSA-N
MW428.73 g/mol
LogP5.97
Rot. Bonds13

About (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol

(2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol (PubChem CID 11037372) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol.

Molecular Properties

Compound Name(2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol
PubChem CID11037372
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Name(2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol
SMILESCCCCCCCC/C=C/[C@@H]1O[C@H]([C@@H](O)CCO[Si](C)(C)C(C)(C)C)CC[C@H]1O
InChIInChI=1S/C24H48O4Si/c1-7-8-9-10-11-12-13-14-15-22-20(25)16-17-23(28-22)21(26)18-19-27-29(5,6)24(2,3)4/h14-15,20-23,25-26H,7-13,16-19H2,1-6H3/b15-14+/t20-,21+,22+,23+/m1/s1
InChIKeyXOLFJLKBAGNXBH-RGXLDMOGSA-N
XLogP5.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586823
Galactosyl pentadecene
CID 132281348
(1S,2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 11288769
(1S,2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 102377682
4-[(2,2-Ditert-butyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl)methyl]-2-(hydroxymethyl)oxan-3-ol
CID 134864926
[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]methanol
CID 138963584
2-[6-[6-(tert-Butyldimethylsilanyloxy)hept-1-enyl]-3-(2-methoxyethoxymethoxy) tetrahydropyran-2-yl]ethanol
CID 145864151
(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 10687754
(4aS,6S,7S,8Z,10aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,4a,6,7,10,10a-octahydropyrano[3,2-b]oxocin-7-ol
CID 12186177
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol
CID 101349439
(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-[(E)-non-1-enyl]oxan-3-ol
CID 22855983

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol?
The IUPAC name of (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol (CID 11037372) is (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol.
What is the SMILES notation for (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol?
The canonical SMILES for (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol is CCCCCCCC/C=C/[C@@H]1O[C@H]([C@@H](O)CCO[Si](C)(C)C(C)(C)C)CC[C@H]1O.
What is the InChIKey of (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol?
The InChIKey is XOLFJLKBAGNXBH-RGXLDMOGSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-7-8-9-10-11-12-13-14-15-22-20(25)16-17-23(28-22)21(26)18-19-27-29(5,6)24(2,3)4/h14-15,20-23,25-26H,7-13,16-19H2,1-6H3/b15-14+/t20-,21+,22+,23+/m1/s1.
What are the key properties of (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol?
(2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol has a molecular weight of 428.73 g/mol, XLogP of 5.97, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol is sourced from PubChem (CID 11037372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).