2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

C16H32O6Si — CID 89372031

IUPAC2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC[Si](CC)(CC)OC(CO)[C@@H](O)C1OC(C)(C)OC1CC=O
InChIInChI=1S/C16H32O6Si/c1-6-23(7-2,8-3)22-13(11-18)14(19)15-12(9-10-17)20-16(4,5)21-15/h10,12-15,18-19H,6-9,11H2,1-5H3/t12?,13?,14-,15?/m1/s1
InChIKeyWOVMCOOGRFWTHG-MIGSVPMKSA-N
MW348.51 g/mol
LogP1.84
Rot. Bonds10

About 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 89372031) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID89372031
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Name2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC[Si](CC)(CC)OC(CO)[C@@H](O)C1OC(C)(C)OC1CC=O
InChIInChI=1S/C16H32O6Si/c1-6-23(7-2,8-3)22-13(11-18)14(19)15-12(9-10-17)20-16(4,5)21-15/h10,12-15,18-19H,6-9,11H2,1-5H3/t12?,13?,14-,15?/m1/s1
InChIKeyWOVMCOOGRFWTHG-MIGSVPMKSA-N
XLogP1.84
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 89372031) is 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is CC[Si](CC)(CC)OC(CO)[C@@H](O)C1OC(C)(C)OC1CC=O.
What is the InChIKey of 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is WOVMCOOGRFWTHG-MIGSVPMKSA-N. The full InChI is InChI=1S/C16H32O6Si/c1-6-23(7-2,8-3)22-13(11-18)14(19)15-12(9-10-17)20-16(4,5)21-15/h10,12-15,18-19H,6-9,11H2,1-5H3/t12?,13?,14-,15?/m1/s1.
What are the key properties of 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 348.51 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 89372031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).