(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde

C13H24O4Si — CID 134853216

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)[C@@H]1CCCC(=O)O1
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-11(9-14)10-7-6-8-12(15)16-10/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyARYMXFMAYWDROT-WDEREUQCSA-N
MW272.42 g/mol
LogP2.67
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde (PubChem CID 134853216) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde
PubChem CID134853216
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)[C@@H]1CCCC(=O)O1
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-11(9-14)10-7-6-8-12(15)16-10/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyARYMXFMAYWDROT-WDEREUQCSA-N
XLogP2.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
(2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxo-tetrahydro-2H-pyran-2-carbaldehyde
CID 16113282
4-Acetoxy-6-t-butyldimethylsilyloxymethyltetrahydro pyran-2-one
CID 19389465
[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]methyl acetate
CID 58160168
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one
CID 58361810
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 58858615
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-oxan-2-yl]acetaldehyde
CID 60088515
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,5-dione
CID 91348708
(2R)-2-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyl-6-oxooxan-2-yl]propanal
CID 10381999
methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
CID 11055778
(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one
CID 11076646

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde (CID 134853216) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@H](C=O)[C@@H]1CCCC(=O)O1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde?
The InChIKey is ARYMXFMAYWDROT-WDEREUQCSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-11(9-14)10-7-6-8-12(15)16-10/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde has a molecular weight of 272.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde is sourced from PubChem (CID 134853216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).