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

C15H30O4Si — CID 10828232

IUPAC3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC1(C)O[C@H](CCC=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h10,12-13H,8-9,11H2,1-7H3/t12-,13-/m1/s1
InChIKeyPQDFRGGVTDGMMS-CHWSQXEVSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds6

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

3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal (PubChem CID 10828232) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal.

Molecular Properties

Compound Name3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
PubChem CID10828232
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC1(C)O[C@H](CCC=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h10,12-13H,8-9,11H2,1-7H3/t12-,13-/m1/s1
InChIKeyPQDFRGGVTDGMMS-CHWSQXEVSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.51
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11162038
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11305043
2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 15271273
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587266
2-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 146166570
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-tri(propan-2-yl)silyloxyhexanal
CID 57792654
(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
CID 90368979
5-[1-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]oxolan-2-one
CID 90953577
2-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 102147340
2-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]acetaldehyde
CID 10041483
2-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]acetaldehyde
CID 10615369

Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The IUPAC name of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal (CID 10828232) is 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal.
What is the SMILES notation for 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The canonical SMILES for 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal is CC1(C)O[C@H](CCC=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The InChIKey is PQDFRGGVTDGMMS-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h10,12-13H,8-9,11H2,1-7H3/t12-,13-/m1/s1.
What are the key properties of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal has a molecular weight of 302.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal is sourced from PubChem (CID 10828232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).