2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde

C14H24O4Si — CID 146166842

IUPAC2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde
SMILESCC[Si](CC)(CC)O[C@@]1(CC=O)CCC(=O)[C@H]2O[C@H]21
InChIInChI=1S/C14H24O4Si/c1-4-19(5-2,6-3)18-14(9-10-15)8-7-11(16)12-13(14)17-12/h10,12-13H,4-9H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyANRYZZBDAFGIRA-MGPQQGTHSA-N
MW284.43 g/mol
LogP2.47
Rot. Bonds7

About 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde

2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde (PubChem CID 146166842) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde
PubChem CID146166842
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde
SMILESCC[Si](CC)(CC)O[C@@]1(CC=O)CCC(=O)[C@H]2O[C@H]21
InChIInChI=1S/C14H24O4Si/c1-4-19(5-2,6-3)18-14(9-10-15)8-7-11(16)12-13(14)17-12/h10,12-13H,4-9H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyANRYZZBDAFGIRA-MGPQQGTHSA-N
XLogP2.47
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.47
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde with MolForge

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Related Compounds

1-[(1R,3R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]ethanone
CID 10850650
(3S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-one
CID 16126374
5-[Tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 134875330
(3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one
CID 11098142
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 11119235
(1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione
CID 11197754
(1R,3R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 11334354
(1R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-one
CID 11380687
(1R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[4.1.0]heptan-2-one
CID 11485999
(1S,4R,5R,6R)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione
CID 12164293
(1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 56946000
(1S,5R,6R)-3-(hydroxymethyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-one
CID 101175781

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde?
The IUPAC name of 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde (CID 146166842) is 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde is CC[Si](CC)(CC)O[C@@]1(CC=O)CCC(=O)[C@H]2O[C@H]21.
What is the InChIKey of 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde?
The InChIKey is ANRYZZBDAFGIRA-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-4-19(5-2,6-3)18-14(9-10-15)8-7-11(16)12-13(14)17-12/h10,12-13H,4-9H2,1-3H3/t12-,13-,14-/m1/s1.
What are the key properties of 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde?
2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde has a molecular weight of 284.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde is sourced from PubChem (CID 146166842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).