6-[tert-butyl(diphenyl)silyl]oxyhexanal

C22H30O2Si — CID 11792478

IUPAC6-[tert-butyl(diphenyl)silyl]oxyhexanal
SMILESCC(C)(C)[Si](OCCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h6-11,14-18H,4-5,12-13,19H2,1-3H3
InChIKeyYKYXHPYPWULKKT-UHFFFAOYSA-N
MW354.57 g/mol
LogP4.32
Rot. Bonds9

About 6-[tert-butyl(diphenyl)silyl]oxyhexanal

6-[tert-butyl(diphenyl)silyl]oxyhexanal (PubChem CID 11792478) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxyhexanal.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxyhexanal
PubChem CID11792478
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxyhexanal
SMILESCC(C)(C)[Si](OCCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h6-11,14-18H,4-5,12-13,19H2,1-3H3
InChIKeyYKYXHPYPWULKKT-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dibutoxy(diphenyl)silane
CID 13637536
1-{2-[(Tert-butyldiphenylsilyl)oxy]ethyl}cyclopropane-1-carbaldehyde
CID 58584506
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
Propanal, 3-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 9995679
2-((Tert-butyldiphenylsilyl)oxy)acetaldehyde
CID 10040359
2-[Tert-butyl(diphenyl)silyl]acetaldehyde
CID 10379059
4-(Tert-butyldiphenylsilyloxy)butanal
CID 10871112
(1R,2R)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)cyclopropane-1-carbaldehyde
CID 10958705
(3S)-3-Methyl-4-(tert-buty)diphenylsilyloxy)butanal
CID 10969882
4-[Tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal
CID 11046453
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanal
CID 11088707
4-[Tert-butyl(diphenyl)silyl]oxybutan-2-one
CID 11099461

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxyhexanal?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxyhexanal (CID 11792478) is 6-[tert-butyl(diphenyl)silyl]oxyhexanal.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxyhexanal?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxyhexanal is CC(C)(C)[Si](OCCCCCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxyhexanal?
The InChIKey is YKYXHPYPWULKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h6-11,14-18H,4-5,12-13,19H2,1-3H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxyhexanal?
6-[tert-butyl(diphenyl)silyl]oxyhexanal has a molecular weight of 354.57 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxyhexanal is sourced from PubChem (CID 11792478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).