2-[[tert-butyl(dimethyl)silyl]methyl]hexanal

C13H28OSi — CID 14527626

IUPAC2-[[tert-butyl(dimethyl)silyl]methyl]hexanal
SMILESCCCCC(C=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-7-8-9-12(10-14)11-15(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3
InChIKeyRMEBZCKHATYNFD-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.50
Rot. Bonds6

About 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal

2-[[tert-butyl(dimethyl)silyl]methyl]hexanal (PubChem CID 14527626) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]methyl]hexanal
PubChem CID14527626
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name2-[[tert-butyl(dimethyl)silyl]methyl]hexanal
SMILESCCCCC(C=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-7-8-9-12(10-14)11-15(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3
InChIKeyRMEBZCKHATYNFD-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethylhexanal
CID 19349187
2-(Trimethylsilylmethyl)hexanal
CID 14527625
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
(2S)-6-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylhexanal
CID 15838480
(4R)-4-methyl-7-trimethylsilylhept-6-ynal
CID 11446914
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 14014588
1-[(Trimethylsilyl)methyl]cyclopentane-1-carbaldehyde
CID 14085494
2-[Tert-butyl(dimethyl)silyl]heptanal
CID 14527632
2,2-Dimethyl-7-trimethylsilylhept-6-ynal
CID 15701258
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 21579085
2-Trimethylsilylhexanal
CID 135049435
6-Oxo-6-trimethylsilylhexanal
CID 10679132

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal (CID 14527626) is 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal is CCCCC(C=O)C[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal?
The InChIKey is RMEBZCKHATYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-7-8-9-12(10-14)11-15(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal?
2-[[tert-butyl(dimethyl)silyl]methyl]hexanal has a molecular weight of 228.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]methyl]hexanal is sourced from PubChem (CID 14527626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).