2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde

C16H32O6Si — CID 11348626

IUPAC2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
SMILESCOCOC[C@@H](CC1(CC=O)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O6Si/c1-15(2,3)23(5,6)22-14(12-19-13-18-4)11-16(7-8-17)20-9-10-21-16/h8,14H,7,9-13H2,1-6H3/t14-/m1/s1
InChIKeyQQRIXBHLTDXZQH-CQSZACIVSA-N
MW348.51 g/mol
LogP2.72
Rot. Bonds10

About 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde

2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde (PubChem CID 11348626) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
PubChem CID11348626
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Name2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
SMILESCOCOC[C@@H](CC1(CC=O)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O6Si/c1-15(2,3)23(5,6)22-14(12-19-13-18-4)11-16(7-8-17)20-9-10-21-16/h8,14H,7,9-13H2,1-6H3/t14-/m1/s1
InChIKeyQQRIXBHLTDXZQH-CQSZACIVSA-N
XLogP2.72
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(methoxymethoxy)hexanal
CID 11611502
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
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal
CID 134970267
2-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 146166570
2,2-Dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)-propyl]-[1,3]dioxolane-4-carboxaldehyde
CID 552050
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 10783807
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-tri(propan-2-yl)silyloxyhexanal
CID 57792654
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 58858620
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 67266111

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde (CID 11348626) is 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde is COCOC[C@@H](CC1(CC=O)OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde?
The InChIKey is QQRIXBHLTDXZQH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H32O6Si/c1-15(2,3)23(5,6)22-14(12-19-13-18-4)11-16(7-8-17)20-9-10-21-16/h8,14H,7,9-13H2,1-6H3/t14-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde?
2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde has a molecular weight of 348.51 g/mol, XLogP of 2.72, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde is sourced from PubChem (CID 11348626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).