2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde

C16H32O4Si — CID 102011572

IUPAC2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde
SMILESCC[C@@H]1O[C@H](CC=O)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-7-15-19-13(8-10-17)12-14(20-15)9-11-18-21(5,6)16(2,3)4/h10,13-15H,7-9,11-12H2,1-6H3/t13-,14+,15-/m1/s1
InChIKeyJTKYXZIFFHASRQ-QLFBSQMISA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds7

About 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde

2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde (PubChem CID 102011572) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde
PubChem CID102011572
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde
SMILESCC[C@@H]1O[C@H](CC=O)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-7-15-19-13(8-10-17)12-14(20-15)9-11-18-21(5,6)16(2,3)4/h10,13-15H,7-9,11-12H2,1-6H3/t13-,14+,15-/m1/s1
InChIKeyJTKYXZIFFHASRQ-QLFBSQMISA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.90
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

[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate
CID 11624354
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal
CID 14061503
methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
CID 24879906
2-[(2R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]acetaldehyde
CID 44208039
(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-5-(oxan-2-yloxy)heptanal
CID 134863365
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,6-dimethoxyoxan-4-yl)-2-methylbutanal
CID 134875261
(2R,3R,4R,5R,6R)-6-[(2S,3S,6S)-6-methoxy-3-methyloxan-2-yl]-2,4-dimethyl-3,5-bis(triethylsilyloxy)heptanal
CID 134953250
2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde
CID 134970429
(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-one
CID 145864775
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetaldehyde
CID 145864778
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetic acid
CID 145864779
2-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 10863468

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde?
The IUPAC name of 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde (CID 102011572) is 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde is CC[C@@H]1O[C@H](CC=O)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde?
The InChIKey is JTKYXZIFFHASRQ-QLFBSQMISA-N. The full InChI is InChI=1S/C16H32O4Si/c1-7-15-19-13(8-10-17)12-14(20-15)9-11-18-21(5,6)16(2,3)4/h10,13-15H,7-9,11-12H2,1-6H3/t13-,14+,15-/m1/s1.
What are the key properties of 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde?
2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde has a molecular weight of 316.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde is sourced from PubChem (CID 102011572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).