6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal

C13H28O2Si — CID 10955811

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
SMILESCC(CCC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3
InChIKeyGFBFCMJKKULLHC-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds7

About 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal

6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal (PubChem CID 10955811) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
PubChem CID10955811
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
SMILESCC(CCC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3
InChIKeyGFBFCMJKKULLHC-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
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'}

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Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]hexanal
CID 11128129
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 13596694
2-(Trimethylsilylmethyl)hexanal
CID 14527625
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 11436161
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
6-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal
CID 87905809
(2S)-6-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylhexanal
CID 15838480
(2R,4S)-5-((tert-Butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 10037486
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
CID 10377185
(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal
CID 10966326
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal (CID 10955811) is 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal is CC(CCC=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal?
The InChIKey is GFBFCMJKKULLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal?
6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal has a molecular weight of 244.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal is sourced from PubChem (CID 10955811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).