1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one

C34H54O4Si2 — CID 134851825

IUPAC1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C34H54O4Si2/c1-25(2)39(26(3)4,27(5)6)38-30-22-29(21-28(7)35)37-31(23-30)24-36-40(34(8,9)10,32-17-13-11-14-18-32)33-19-15-12-16-20-33/h11-20,25-27,29-31H,21-24H2,1-10H3/t29-,30+,31-/m0/s1
InChIKeyLFBATWZTMHKHDN-YPKYBTACSA-N
MW582.97 g/mol
LogP7.65
Rot. Bonds12

About 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one

1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one (PubChem CID 134851825) has the molecular formula C34H54O4Si2 and a molecular weight of 582.97 g/mol. Its IUPAC name is 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one
PubChem CID134851825
Molecular FormulaC34H54O4Si2
Molecular Weight582.97 g/mol
Exact Mass582.36
IUPAC Name1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C34H54O4Si2/c1-25(2)39(26(3)4,27(5)6)38-30-22-29(21-28(7)35)37-31(23-30)24-36-40(34(8,9)10,32-17-13-11-14-18-32)33-19-15-12-16-20-33/h11-20,25-27,29-31H,21-24H2,1-10H3/t29-,30+,31-/m0/s1
InChIKeyLFBATWZTMHKHDN-YPKYBTACSA-N
XLogP7.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.97
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one with MolForge

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Related Compounds

(3R)-4-[(2S,6R)-6-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enyl]oxan-2-yl]-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
CID 89570696
1-[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3,3-dimethyl-6-tri(propan-2-yl)silyloxyhexan-2-one
CID 11040191
(4aS,6R,9aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,4a,8,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-7-one
CID 11080651
(2R,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-6-[(Z)-dodec-2-enyl]oxane-2-carbaldehyde
CID 11156894
(2R,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-6-[(Z)-tetradec-2-enyl]oxane-2-carbaldehyde
CID 11249971
(2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde
CID 11763729
1,11-Bis[[tert-butyl(dimethyl)silyl]oxy]-13-[tert-butyl(diphenyl)silyl]oxy-8-triethylsilyloxytridecan-5-one
CID 21583598
(2S,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-[(2S)-2-methoxy-3-[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]propyl]oxan-4-one
CID 24741273
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6R)-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butanoic acid
CID 24885276
(4S,6S)-4-((tert-Butyldimethylsilyl)oxy)-6-(2-((tert-butyldiphenylsilyl)oxy)ethyl)tetrahydro-2H-pyran-2-one
CID 71489605
2-((2R,4S,6S)-4-((tert-Butyldimethylsilyl)oxy-6-(2-((tert-butyldiphenylsilyl)oxy)ethyl)tetrahydro-2H-pyran-2-yl)acetic acid
CID 71489704
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
CID 71523783

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one?
The IUPAC name of 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one (CID 134851825) is 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one is CC(=O)C[C@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one?
The InChIKey is LFBATWZTMHKHDN-YPKYBTACSA-N. The full InChI is InChI=1S/C34H54O4Si2/c1-25(2)39(26(3)4,27(5)6)38-30-22-29(21-28(7)35)37-31(23-30)24-36-40(34(8,9)10,32-17-13-11-14-18-32)33-19-15-12-16-20-33/h11-20,25-27,29-31H,21-24H2,1-10H3/t29-,30+,31-/m0/s1.
What are the key properties of 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one?
1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one has a molecular weight of 582.97 g/mol, XLogP of 7.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one is sourced from PubChem (CID 134851825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).