(2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal

C17H34O4Si — CID 10882107

IUPAC(2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SMILESC[C@@H](C=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-12(10-18)14-15(21-17(6,7)20-14)13(2)11-19-22(8,9)16(3,4)5/h10,12-15H,11H2,1-9H3/t12-,13-,14-,15-/m0/s1
InChIKeyIGNBEDAAYYCAEC-AJNGGQMLSA-N
MW330.54 g/mol
LogP4.00
Rot. Bonds6

About (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal

(2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal (PubChem CID 10882107) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
PubChem CID10882107
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SMILESC[C@@H](C=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-12(10-18)14-15(21-17(6,7)20-14)13(2)11-19-22(8,9)16(3,4)5/h10,12-15H,11H2,1-9H3/t12-,13-,14-,15-/m0/s1
InChIKeyIGNBEDAAYYCAEC-AJNGGQMLSA-N
XLogP4.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.00
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'}

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Related Compounds

2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal
CID 134870777
(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
CID 175882115
(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal
CID 10972342
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 11023064
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 11109445
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propanal
CID 12156623
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 12186438
ethyl (2R)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate
CID 15105039
ethyl (2S)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate
CID 15105040
3-[Tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal
CID 101465997
ethyl (2R)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]propanoate
CID 102096603

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The IUPAC name of (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal (CID 10882107) is (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal.
What is the SMILES notation for (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The canonical SMILES for (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal is C[C@@H](C=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The InChIKey is IGNBEDAAYYCAEC-AJNGGQMLSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-12(10-18)14-15(21-17(6,7)20-14)13(2)11-19-22(8,9)16(3,4)5/h10,12-15H,11H2,1-9H3/t12-,13-,14-,15-/m0/s1.
What are the key properties of (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
(2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal has a molecular weight of 330.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal is sourced from PubChem (CID 10882107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).