3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal

C17H34O2Si2 — CID 24805370

IUPAC3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal
SMILESCC[Si](C#CC[Si](C)(C)C)(CC)OC(CC=O)CC(C)C
InChIInChI=1S/C17H34O2Si2/c1-8-21(9-2,14-10-13-20(5,6)7)19-17(11-12-18)15-16(3)4/h12,16-17H,8-9,11,13,15H2,1-7H3
InChIKeyWQAQWWBUAXAKJJ-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.87
Rot. Bonds9

About 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal

3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal (PubChem CID 24805370) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal.

Molecular Properties

Compound Name3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal
PubChem CID24805370
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal
SMILESCC[Si](C#CC[Si](C)(C)C)(CC)OC(CC=O)CC(C)C
InChIInChI=1S/C17H34O2Si2/c1-8-21(9-2,14-10-13-20(5,6)7)19-17(11-12-18)15-16(3)4/h12,16-17H,8-9,11,13,15H2,1-7H3
InChIKeyWQAQWWBUAXAKJJ-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal
CID 10870323
(2S,3S,4R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11003293
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 11111192
(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
CID 11245787
Ctk2A4066
CID 11403317
(3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal
CID 11500201
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-triethylsilyloxypentanal
CID 11717470
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
CID 72701907
(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 101425651

Frequently Asked Questions

What is the IUPAC name of 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal?
The IUPAC name of 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal (CID 24805370) is 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal.
What is the SMILES notation for 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal?
The canonical SMILES for 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal is CC[Si](C#CC[Si](C)(C)C)(CC)OC(CC=O)CC(C)C.
What is the InChIKey of 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal?
The InChIKey is WQAQWWBUAXAKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-8-21(9-2,14-10-13-20(5,6)7)19-17(11-12-18)15-16(3)4/h12,16-17H,8-9,11,13,15H2,1-7H3.
What are the key properties of 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal?
3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal has a molecular weight of 326.63 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal is sourced from PubChem (CID 24805370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).