[(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol

C19H38O5Si — CID 72713817

IUPAC[(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol
SMILESCCC1(CC)O[C@@H](CO)C[C@@H]([C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2CO2)O1
InChIInChI=1S/C19H38O5Si/c1-8-19(9-2)23-14(11-20)10-16(24-19)15(17-13-21-17)12-22-25(6,7)18(3,4)5/h14-17,20H,8-13H2,1-7H3/t14-,15+,16+,17+/m1/s1
InChIKeyIGSUKJJLWPUUEH-QZWWFDLISA-N
MW374.59 g/mol
LogP3.71
Rot. Bonds8

About [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol

[(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol (PubChem CID 72713817) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol
PubChem CID72713817
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name[(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol
SMILESCCC1(CC)O[C@@H](CO)C[C@@H]([C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2CO2)O1
InChIInChI=1S/C19H38O5Si/c1-8-19(9-2)23-14(11-20)10-16(24-19)15(17-13-21-17)12-22-25(6,7)18(3,4)5/h14-17,20H,8-13H2,1-7H3/t14-,15+,16+,17+/m1/s1
InChIKeyIGSUKJJLWPUUEH-QZWWFDLISA-N
XLogP3.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol with MolForge

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Related Compounds

(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 134878312
(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
[(1S,3S,4S,4'R,5R,5'R,6S,6'R)-4',5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5'-dimethyl-6'-propan-2-ylspiro[2-oxabicyclo[4.1.0]heptane-3,2'-oxane]-1-yl]methanol
CID 11375979
[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
CID 15981859
(1R,2S,3R,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473906
(1S,2S,3S,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473909
[(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol
CID 71523827
(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol
CID 100999902
(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863684

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol (CID 72713817) is [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol is CCC1(CC)O[C@@H](CO)C[C@@H]([C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2CO2)O1.
What is the InChIKey of [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol?
The InChIKey is IGSUKJJLWPUUEH-QZWWFDLISA-N. The full InChI is InChI=1S/C19H38O5Si/c1-8-19(9-2)23-14(11-20)10-16(24-19)15(17-13-21-17)12-22-25(6,7)18(3,4)5/h14-17,20H,8-13H2,1-7H3/t14-,15+,16+,17+/m1/s1.
What are the key properties of [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol?
[(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol has a molecular weight of 374.59 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 72713817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).