4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal

C16H26O5Si — CID 15551237

IUPAC4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal
SMILESCC(CCC=O)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C16H26O5Si/c1-13(6-5-7-17)15-10-14(11-16(18)21-15)20-12-19-8-9-22(2,3)4/h7,10-11,13H,5-6,8-9,12H2,1-4H3
InChIKeyAMFCHMSZNPGPDH-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.41
Rot. Bonds10

About 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal

4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal (PubChem CID 15551237) has the molecular formula C16H26O5Si and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal.

Molecular Properties

Compound Name4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal
PubChem CID15551237
Molecular FormulaC16H26O5Si
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal
SMILESCC(CCC=O)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C16H26O5Si/c1-13(6-5-7-17)15-10-14(11-16(18)21-15)20-12-19-8-9-22(2,3)4/h7,10-11,13H,5-6,8-9,12H2,1-4H3
InChIKeyAMFCHMSZNPGPDH-UHFFFAOYSA-N
XLogP3.41
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal?
The IUPAC name of 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal (CID 15551237) is 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal.
What is the SMILES notation for 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal?
The canonical SMILES for 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal is CC(CCC=O)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1.
What is the InChIKey of 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal?
The InChIKey is AMFCHMSZNPGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5Si/c1-13(6-5-7-17)15-10-14(11-16(18)21-15)20-12-19-8-9-22(2,3)4/h7,10-11,13H,5-6,8-9,12H2,1-4H3.
What are the key properties of 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal?
4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal has a molecular weight of 326.47 g/mol, XLogP of 3.41, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal is sourced from PubChem (CID 15551237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).