2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde

C21H44O5Si2 — CID 10884542

IUPAC2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde
SMILESCO[C@@H]1O[C@@H](CC=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O5Si2/c1-15-17(25-27(9,10)20(2,3)4)16(13-14-22)24-19(23-8)18(15)26-28(11,12)21(5,6)7/h14-19H,13H2,1-12H3/t15-,16-,17-,18+,19+/m0/s1
InChIKeyYBEJRFWMVSZKPI-LTFXXXRZSA-N
MW432.75 g/mol
LogP5.36
Rot. Bonds7

About 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde

2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde (PubChem CID 10884542) has the molecular formula C21H44O5Si2 and a molecular weight of 432.75 g/mol. Its IUPAC name is 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde
PubChem CID10884542
Molecular FormulaC21H44O5Si2
Molecular Weight432.75 g/mol
Exact Mass432.27
IUPAC Name2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde
SMILESCO[C@@H]1O[C@@H](CC=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O5Si2/c1-15-17(25-27(9,10)20(2,3)4)16(13-14-22)24-19(23-8)18(15)26-28(11,12)21(5,6)7/h14-19H,13H2,1-12H3/t15-,16-,17-,18+,19+/m0/s1
InChIKeyYBEJRFWMVSZKPI-LTFXXXRZSA-N
XLogP5.36
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.75
LogP ≤ 55.36
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'}

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Related Compounds

(2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal
CID 11099136
(2S,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptanal
CID 25052809
(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,3S,4S,5R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloxan-2-yl]acetaldehyde
CID 24860034
2-[(2S,3S,4S,5R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloxan-2-yl]acetaldehyde
CID 89290013
(4R)-4-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxypentanal
CID 155725421
(4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal
CID 167622270
4-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxypentanal
CID 173899851
(4R)-4-[(2R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxypentanal
CID 173900158
2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 175882106
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-2-methylbutanal
CID 10498770

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde (CID 10884542) is 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde is CO[C@@H]1O[C@@H](CC=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde?
The InChIKey is YBEJRFWMVSZKPI-LTFXXXRZSA-N. The full InChI is InChI=1S/C21H44O5Si2/c1-15-17(25-27(9,10)20(2,3)4)16(13-14-22)24-19(23-8)18(15)26-28(11,12)21(5,6)7/h14-19H,13H2,1-12H3/t15-,16-,17-,18+,19+/m0/s1.
What are the key properties of 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde?
2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde has a molecular weight of 432.75 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 10884542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).