(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde

C19H36O5Si — CID 11111515

IUPAC(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OCCC[C@H]1O[C@H]1CCCO[C@@H]1C=O
InChIInChI=1S/C19H36O5Si/c1-19(2,3)25(4,5)23-13-10-15-16(8-6-11-21-15)24-17-9-7-12-22-18(17)14-20/h14-18H,6-13H2,1-5H3/t15-,16+,17-,18+/m0/s1
InChIKeyAKOXTZMPQALZIX-XWTMOSNGSA-N
MW372.58 g/mol
LogP3.71
Rot. Bonds7

About (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde

(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde (PubChem CID 11111515) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde
PubChem CID11111515
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OCCC[C@H]1O[C@H]1CCCO[C@@H]1C=O
InChIInChI=1S/C19H36O5Si/c1-19(2,3)25(4,5)23-13-10-15-16(8-6-11-21-15)24-17-9-7-12-22-18(17)14-20/h14-18H,6-13H2,1-5H3/t15-,16+,17-,18+/m0/s1
InChIKeyAKOXTZMPQALZIX-XWTMOSNGSA-N
XLogP3.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.71
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,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 11036533
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde
CID 10955808
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-oxan-2-yl]acetaldehyde
CID 60088515
2-bromo-1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone
CID 10950703
1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone
CID 11111837
(2R,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 11308253
(4aR,6R,7R,8aS)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline-6-carbaldehyde
CID 12192105
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
(2R,3S,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 101740811

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde?
The IUPAC name of (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde (CID 11111515) is (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde.
What is the SMILES notation for (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde?
The canonical SMILES for (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OCC[C@@H]1OCCC[C@H]1O[C@H]1CCCO[C@@H]1C=O.
What is the InChIKey of (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde?
The InChIKey is AKOXTZMPQALZIX-XWTMOSNGSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-19(2,3)25(4,5)23-13-10-15-16(8-6-11-21-15)24-17-9-7-12-22-18(17)14-20/h14-18H,6-13H2,1-5H3/t15-,16+,17-,18+/m0/s1.
What are the key properties of (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde?
(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde has a molecular weight of 372.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde is sourced from PubChem (CID 11111515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).