(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal

C19H38O5Si2 — CID 10621168

IUPAC(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C19H38O5Si2/c1-18(2,3)25(7,8)23-15(13-20)17(14-11-12-16(21)22-14)24-26(9,10)19(4,5)6/h13-15,17H,11-12H2,1-10H3/t14-,15-,17+/m1/s1
InChIKeyQAVUUELPMDTQOY-INMHGKMJSA-N
MW402.68 g/mol
LogP4.67
Rot. Bonds7

About (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal

(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal (PubChem CID 10621168) has the molecular formula C19H38O5Si2 and a molecular weight of 402.68 g/mol. Its IUPAC name is (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal.

Molecular Properties

Compound Name(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
PubChem CID10621168
Molecular FormulaC19H38O5Si2
Molecular Weight402.68 g/mol
Exact Mass402.23
IUPAC Name(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C19H38O5Si2/c1-18(2,3)25(7,8)23-15(13-20)17(14-11-12-16(21)22-14)24-26(9,10)19(4,5)6/h13-15,17H,11-12H2,1-10H3/t14-,15-,17+/m1/s1
InChIKeyQAVUUELPMDTQOY-INMHGKMJSA-N
XLogP4.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.68
LogP ≤ 54.67
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

(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10732272
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-one
CID 11488203
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde
CID 10563121
(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
CID 10720614
(5R)-5-[(2S,5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl]thiolan-2-yl]oxolan-2-one
CID 10530639
5-(1-iodoethyl)oxolan-2-one
CID 101198694
(5S)-5-[(1R)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-2-one
CID 100999050
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal?
The IUPAC name of (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal (CID 10621168) is (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal.
What is the SMILES notation for (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal?
The canonical SMILES for (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal is CC(C)(C)[Si](C)(C)O[C@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1.
What is the InChIKey of (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal?
The InChIKey is QAVUUELPMDTQOY-INMHGKMJSA-N. The full InChI is InChI=1S/C19H38O5Si2/c1-18(2,3)25(7,8)23-15(13-20)17(14-11-12-16(21)22-14)24-26(9,10)19(4,5)6/h13-15,17H,11-12H2,1-10H3/t14-,15-,17+/m1/s1.
What are the key properties of (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal?
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal has a molecular weight of 402.68 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal is sourced from PubChem (CID 10621168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).