(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal

C26H58O4Si3 — CID 11988980

IUPAC(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal
SMILESCC[Si](CC)(CC)O[C@@H](C[C@H](CC=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58O4Si3/c1-15-33(16-2,17-3)30-24(20-22(4)28-31(11,12)25(5,6)7)21-23(18-19-27)29-32(13,14)26(8,9)10/h19,22-24H,15-18,20-21H2,1-14H3/t22-,23+,24-/m1/s1
InChIKeyCHDNOJJEOJRJLS-TZRRMPRUSA-N
MW519.00 g/mol
LogP8.55
Rot. Bonds15

About (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal

(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal (PubChem CID 11988980) has the molecular formula C26H58O4Si3 and a molecular weight of 519.00 g/mol. Its IUPAC name is (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal.

Molecular Properties

Compound Name(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal
PubChem CID11988980
Molecular FormulaC26H58O4Si3
Molecular Weight519.00 g/mol
Exact Mass518.36
IUPAC Name(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal
SMILESCC[Si](CC)(CC)O[C@@H](C[C@H](CC=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58O4Si3/c1-15-33(16-2,17-3)30-24(20-22(4)28-31(11,12)25(5,6)7)21-23(18-19-27)29-32(13,14)26(8,9)10/h19,22-24H,15-18,20-21H2,1-14H3/t22-,23+,24-/m1/s1
InChIKeyCHDNOJJEOJRJLS-TZRRMPRUSA-N
XLogP8.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal with MolForge

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Related Compounds

(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 15308747
(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
CID 25257955
(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]octadecanal
CID 46180568
dimethyl (3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134930481
dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134934797
(3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedial
CID 134970719
(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal
CID 138980516
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
CID 138981465
2-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 10863468

Frequently Asked Questions

What is the IUPAC name of (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal?
The IUPAC name of (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal (CID 11988980) is (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal.
What is the SMILES notation for (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal?
The canonical SMILES for (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal is CC[Si](CC)(CC)O[C@@H](C[C@H](CC=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal?
The InChIKey is CHDNOJJEOJRJLS-TZRRMPRUSA-N. The full InChI is InChI=1S/C26H58O4Si3/c1-15-33(16-2,17-3)30-24(20-22(4)28-31(11,12)25(5,6)7)21-23(18-19-27)29-32(13,14)26(8,9)10/h19,22-24H,15-18,20-21H2,1-14H3/t22-,23+,24-/m1/s1.
What are the key properties of (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal?
(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal has a molecular weight of 519.00 g/mol, XLogP of 8.55, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal is sourced from PubChem (CID 11988980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).