(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal

C29H46O3Si2 — CID 11179531

IUPAC(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
SMILESCC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC=O
InChIInChI=1S/C29H46O3Si2/c1-8-33(9-2,10-3)32-28(25(4)21-23-30)22-24-31-34(29(5,6)7,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,23,25,28H,8-10,21-22,24H2,1-7H3/t25-,28-/m1/s1
InChIKeyUKSOEJFMQXVWMN-LEAFIULHSA-N
MW498.86 g/mol
LogP6.57
Rot. Bonds14

About (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal

(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal (PubChem CID 11179531) has the molecular formula C29H46O3Si2 and a molecular weight of 498.86 g/mol. Its IUPAC name is (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal.

Molecular Properties

Compound Name(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
PubChem CID11179531
Molecular FormulaC29H46O3Si2
Molecular Weight498.86 g/mol
Exact Mass498.30
IUPAC Name(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
SMILESCC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC=O
InChIInChI=1S/C29H46O3Si2/c1-8-33(9-2,10-3)32-28(25(4)21-23-30)22-24-31-34(29(5,6)7,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,23,25,28H,8-10,21-22,24H2,1-7H3/t25-,28-/m1/s1
InChIKeyUKSOEJFMQXVWMN-LEAFIULHSA-N
XLogP6.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.86
LogP ≤ 56.57
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

[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 10030936
7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
CID 11388220
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
CID 11168008
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
CID 11331241
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane
CID 101050304
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal?
The IUPAC name of (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal (CID 11179531) is (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal.
What is the SMILES notation for (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal?
The canonical SMILES for (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal is CC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC=O.
What is the InChIKey of (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal?
The InChIKey is UKSOEJFMQXVWMN-LEAFIULHSA-N. The full InChI is InChI=1S/C29H46O3Si2/c1-8-33(9-2,10-3)32-28(25(4)21-23-30)22-24-31-34(29(5,6)7,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,23,25,28H,8-10,21-22,24H2,1-7H3/t25-,28-/m1/s1.
What are the key properties of (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal?
(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal has a molecular weight of 498.86 g/mol, XLogP of 6.57, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal is sourced from PubChem (CID 11179531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).