(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal

C13H28O2Si — CID 15440865

IUPAC(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](C)C=O
InChIInChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(11(4)5)12(6)10-14/h10-13H,7-9H2,1-6H3/t12-,13-/m0/s1
InChIKeyBRIANZOUXNACKK-STQMWFEESA-N
MW244.45 g/mol
LogP3.87
Rot. Bonds8

About (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal

(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal (PubChem CID 15440865) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal
PubChem CID15440865
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](C)C=O
InChIInChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(11(4)5)12(6)10-14/h10-13H,7-9H2,1-6H3/t12-,13-/m0/s1
InChIKeyBRIANZOUXNACKK-STQMWFEESA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.87
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'}

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Related Compounds

(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal
CID 10601557
[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 12031137
(2R)-2-triethylsilyloxybutanal
CID 88543648
(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
CID 11176467
(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal
CID 71725889
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
2,3-dimethylbutanal;ethoxyethane
CID 126485653
triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane
CID 134940564
[(2R,3S,4S,5S)-6-methoxy-3,5-dimethyl-1,6-dioxo-4-triethylsilyloxyhexan-2-yl] benzoate
CID 10093737
dichloromethane;2,3-dimethylbutanal
CID 174845738
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
(2S,3S,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-3-trimethylsilyloxyoctanal
CID 11811175

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal?
The IUPAC name of (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal (CID 15440865) is (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal.
What is the SMILES notation for (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal?
The canonical SMILES for (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal?
The InChIKey is BRIANZOUXNACKK-STQMWFEESA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(11(4)5)12(6)10-14/h10-13H,7-9H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal?
(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal has a molecular weight of 244.45 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal is sourced from PubChem (CID 15440865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).