(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal

C17H36O3Si — CID 102392510

IUPAC(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)OC(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-14(13-19-21(8,9)17(5,6)7)15(11-10-12-18)20-16(2,3)4/h12,14-15H,10-11,13H2,1-9H3/t14-,15+/m0/s1
InChIKeyPQIMJKLWUQLGJI-LSDHHAIUSA-N
MW316.56 g/mol
LogP4.81
Rot. Bonds8

About (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal

(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal (PubChem CID 102392510) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal.

Molecular Properties

Compound Name(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal
PubChem CID102392510
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)OC(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-14(13-19-21(8,9)17(5,6)7)15(11-10-12-18)20-16(2,3)4/h12,14-15H,10-11,13H2,1-9H3/t14-,15+/m0/s1
InChIKeyPQIMJKLWUQLGJI-LSDHHAIUSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal
CID 10870323
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 90274712
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal
CID 10892462
(3S,4R,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal
CID 10992749
[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate
CID 11078855
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal
CID 11417487
(3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal
CID 11728831
(3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal
CID 57379990
(2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal
CID 101347212
(4S)-4,6-Bis{[tert-butyl(dimethyl)silyl]oxy}hexanal
CID 165353827

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal?
The IUPAC name of (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal (CID 102392510) is (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal.
What is the SMILES notation for (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal?
The canonical SMILES for (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)OC(C)(C)C.
What is the InChIKey of (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal?
The InChIKey is PQIMJKLWUQLGJI-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-14(13-19-21(8,9)17(5,6)7)15(11-10-12-18)20-16(2,3)4/h12,14-15H,10-11,13H2,1-9H3/t14-,15+/m0/s1.
What are the key properties of (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal?
(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal has a molecular weight of 316.56 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-[(2-methylpropan-2-yl)oxy]hexanal is sourced from PubChem (CID 102392510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).