2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde

C14H28O3Si — CID 10967662

IUPAC2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde
SMILESC[C@@H]1CC[C@@H](CC=O)O[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-11-7-8-12(9-10-15)16-13(11)17-18(5,6)14(2,3)4/h10-13H,7-9H2,1-6H3/t11-,12+,13+/m1/s1
InChIKeyFRWJQJSPRLFACA-AGIUHOORSA-N
MW272.46 g/mol
LogP3.74
Rot. Bonds4

About 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde

2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde (PubChem CID 10967662) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde
PubChem CID10967662
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde
SMILESC[C@@H]1CC[C@@H](CC=O)O[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-11-7-8-12(9-10-15)16-13(11)17-18(5,6)14(2,3)4/h10-13H,7-9H2,1-6H3/t11-,12+,13+/m1/s1
InChIKeyFRWJQJSPRLFACA-AGIUHOORSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]acetaldehyde
CID 162717514
2-[(2S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde
CID 134692437
2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]acetaldehyde
CID 102134604
2-[(2S,3R,4aR,6S,7R,8aR)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 15605711
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
CID 59441458
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
(1R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,8-dioxabicyclo[3.2.1]octan-2-one
CID 23254737
(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
CID 57231418
[(2E,4Z)-5-[(2R,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-(2-oxoethyl)oxan-2-yl]-4-methylpenta-2,4-dienyl] 2,2-dimethylpropanoate
CID 11351470
[(2S,3R,4S,5S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 57337579
1-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
CID 174086192
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde (CID 10967662) is 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde is C[C@@H]1CC[C@@H](CC=O)O[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde?
The InChIKey is FRWJQJSPRLFACA-AGIUHOORSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11-7-8-12(9-10-15)16-13(11)17-18(5,6)14(2,3)4/h10-13H,7-9H2,1-6H3/t11-,12+,13+/m1/s1.
What are the key properties of 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde?
2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde has a molecular weight of 272.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 10967662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).