(2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde

C26H46O5Si2 — CID 14061534

IUPAC(2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1C=O
InChIInChI=1S/C26H46O5Si2/c1-25(2,3)32(7,8)29-17-16-22(31-33(9,10)26(4,5)6)21-19-28-24(30-23(21)18-27)20-14-12-11-13-15-20/h11-15,18,21-24H,16-17,19H2,1-10H3/t21-,22-,23-,24+/m0/s1
InChIKeyLQQGXIBIKLQBCV-NEWJYFPISA-N
MW494.82 g/mol
LogP6.72
Rot. Bonds9

About (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde

(2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde (PubChem CID 14061534) has the molecular formula C26H46O5Si2 and a molecular weight of 494.82 g/mol. Its IUPAC name is (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde
PubChem CID14061534
Molecular FormulaC26H46O5Si2
Molecular Weight494.82 g/mol
Exact Mass494.29
IUPAC Name(2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1C=O
InChIInChI=1S/C26H46O5Si2/c1-25(2,3)32(7,8)29-17-16-22(31-33(9,10)26(4,5)6)21-19-28-24(30-23(21)18-27)20-14-12-11-13-15-20/h11-15,18,21-24H,16-17,19H2,1-10H3/t21-,22-,23-,24+/m0/s1
InChIKeyLQQGXIBIKLQBCV-NEWJYFPISA-N
XLogP6.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.82
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 134837826
(E)-4-((2S,6S)-6-((2R,3R)-3-(benzyloxymethoxy)-2-(tert-butyldimethylsilyloxy)butyl)-2-methoxy-3-oxo-tetrahydro-2H-pyran-2-yl)-4-methylpent-2-enal
CID 87214192
(4S,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxane-4-carbaldehyde
CID 10660225
ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate
CID 11441198
3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-1-one
CID 11798209
(2R,4R,6S)-6-ethenyl-4,6-diethyl-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 12003259
methyl (2S)-2-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]oxy-2-phenylacetate
CID 12036536
methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]oxy-2-phenylacetate
CID 12036537
(E)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]prop-2-en-1-one
CID 14081631
7-(Oxan-2-yloxy)-3-phenylmethoxyheptan-2-one
CID 15415822
tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane
CID 15948073
[(4R,6S)-6-phenyl-4-triethylsilyloxyoxan-2-yl] acetate
CID 16088140

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde (CID 14061534) is (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde is CC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1C=O.
What is the InChIKey of (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is LQQGXIBIKLQBCV-NEWJYFPISA-N. The full InChI is InChI=1S/C26H46O5Si2/c1-25(2,3)32(7,8)29-17-16-22(31-33(9,10)26(4,5)6)21-19-28-24(30-23(21)18-27)20-14-12-11-13-15-20/h11-15,18,21-24H,16-17,19H2,1-10H3/t21-,22-,23-,24+/m0/s1.
What are the key properties of (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde?
(2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 494.82 g/mol, XLogP of 6.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-phenyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 14061534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).