2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde

C16H32O5Si2 — CID 134922982

IUPAC2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
SMILESC[Si](C)(C)O[C@@H]1[C@H]2OCCC[C@@H]2O[C@H](CC=O)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C16H32O5Si2/c1-22(2,3)20-15-13(9-10-17)19-12-8-7-11-18-14(12)16(15)21-23(4,5)6/h10,12-16H,7-9,11H2,1-6H3/t12-,13+,14-,15+,16+/m0/s1
InChIKeyZUMNESSOHOCIAR-ZVDSWSACSA-N
MW360.60 g/mol
LogP2.96
Rot. Bonds6

About 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde

2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde (PubChem CID 134922982) has the molecular formula C16H32O5Si2 and a molecular weight of 360.60 g/mol. Its IUPAC name is 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
PubChem CID134922982
Molecular FormulaC16H32O5Si2
Molecular Weight360.60 g/mol
Exact Mass360.18
IUPAC Name2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
SMILESC[Si](C)(C)O[C@@H]1[C@H]2OCCC[C@@H]2O[C@H](CC=O)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C16H32O5Si2/c1-22(2,3)20-15-13(9-10-17)19-12-8-7-11-18-14(12)16(15)21-23(4,5)6/h10,12-16H,7-9,11H2,1-6H3/t12-,13+,14-,15+,16+/m0/s1
InChIKeyZUMNESSOHOCIAR-ZVDSWSACSA-N
XLogP2.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.60
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde with MolForge

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Related Compounds

methyl 2-[(3S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxo-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-6-yl]acetate
CID 24879811
1-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-2,3-dione
CID 10864188
1-[(2S,3S,4R,5S,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]butane-2,3-dione
CID 23631140
methyl 2-[(2R,3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-formyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 102328880
methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-formyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 145375798
1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one
CID 171475509
methyl 2-[(4aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-formyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 173812270
methyl 2-[(2R,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-formyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 173812292
methyl 2-[(2R,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-formyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 173841783
methyl 2-[(2S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 173844232
2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetaldehyde
CID 10627966
methyl 2-[(2R,3R,4S,4aS,6R,8aS)-2-[(1R)-2-oxo-1-triethylsilyloxyethyl]-3,4-bis(triethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 11498334

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde (CID 134922982) is 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde is C[Si](C)(C)O[C@@H]1[C@H]2OCCC[C@@H]2O[C@H](CC=O)[C@H]1O[Si](C)(C)C.
What is the InChIKey of 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde?
The InChIKey is ZUMNESSOHOCIAR-ZVDSWSACSA-N. The full InChI is InChI=1S/C16H32O5Si2/c1-22(2,3)20-15-13(9-10-17)19-12-8-7-11-18-14(12)16(15)21-23(4,5)6/h10,12-16H,7-9,11H2,1-6H3/t12-,13+,14-,15+,16+/m0/s1.
What are the key properties of 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde?
2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde has a molecular weight of 360.60 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde is sourced from PubChem (CID 134922982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).