7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal

C37H64O4Si3 — CID 11388220

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
SMILESCC[Si](CC)(CC)OC(CCC=O)CCC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H64O4Si3/c1-12-43(13-2,14-3)41-32(22-21-30-38)27-28-33(40-42(10,11)36(4,5)6)29-31-39-44(37(7,8)9,34-23-17-15-18-24-34)35-25-19-16-20-26-35/h15-20,23-26,30,32-33H,12-14,21-22,27-29,31H2,1-11H3
InChIKeyLSQCTMJGDHVEGW-UHFFFAOYSA-N
MW657.17 g/mol
LogP9.49
Rot. Bonds19

About 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal

7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal (PubChem CID 11388220) has the molecular formula C37H64O4Si3 and a molecular weight of 657.17 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
PubChem CID11388220
Molecular FormulaC37H64O4Si3
Molecular Weight657.17 g/mol
Exact Mass656.41
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
SMILESCC[Si](CC)(CC)OC(CCC=O)CCC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H64O4Si3/c1-12-43(13-2,14-3)41-32(22-21-30-38)27-28-33(40-42(10,11)36(4,5)6)29-31-39-44(37(7,8)9,34-23-17-15-18-24-34)35-25-19-16-20-26-35/h15-20,23-26,30,32-33H,12-14,21-22,27-29,31H2,1-11H3
InChIKeyLSQCTMJGDHVEGW-UHFFFAOYSA-N
XLogP9.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.17
LogP ≤ 59.49
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'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
CID 11179531
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
CID 11331241
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane
CID 91526312
[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 10030936
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-(9H-carbazol-4-yloxy)butoxy]-diphenylsilane
CID 72711822
tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane
CID 101050304
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
(4S)-4-[(1S,5S,6S)-6-[2-[(4S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-5-methyl-2-oxocyclohex-3-en-1-yl]-4-triethylsilyloxybutanal
CID 135049679
tert-butyl-[(E,3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-4-en-3-yl]oxy-diphenylsilane
CID 56931226
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal (CID 11388220) is 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal is CC[Si](CC)(CC)OC(CCC=O)CCC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal?
The InChIKey is LSQCTMJGDHVEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H64O4Si3/c1-12-43(13-2,14-3)41-32(22-21-30-38)27-28-33(40-42(10,11)36(4,5)6)29-31-39-44(37(7,8)9,34-23-17-15-18-24-34)35-25-19-16-20-26-35/h15-20,23-26,30,32-33H,12-14,21-22,27-29,31H2,1-11H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal?
7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal has a molecular weight of 657.17 g/mol, XLogP of 9.49, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal is sourced from PubChem (CID 11388220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).