4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one

C24H38O4Si — CID 10835839

IUPAC4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one
SMILESC/C=C/C=C/CCCC/C=C/c1cc(OC)c(CO[Si](CC)(CC)CC)c(=O)o1
InChIInChI=1S/C24H38O4Si/c1-6-10-11-12-13-14-15-16-17-18-21-19-23(26-5)22(24(25)28-21)20-27-29(7-2,8-3)9-4/h6,10-12,17-19H,7-9,13-16,20H2,1-5H3/b10-6+,12-11+,18-17+
InChIKeyBYOOMZPTWZVIOX-AOGLCUKNSA-N
MW418.65 g/mol
LogP6.88
Rot. Bonds14

About 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one

4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one (PubChem CID 10835839) has the molecular formula C24H38O4Si and a molecular weight of 418.65 g/mol. Its IUPAC name is 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one
PubChem CID10835839
Molecular FormulaC24H38O4Si
Molecular Weight418.65 g/mol
Exact Mass418.25
IUPAC Name4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one
SMILESC/C=C/C=C/CCCC/C=C/c1cc(OC)c(CO[Si](CC)(CC)CC)c(=O)o1
InChIInChI=1S/C24H38O4Si/c1-6-10-11-12-13-14-15-16-17-18-21-19-23(26-5)22(24(25)28-21)20-27-29(7-2,8-3)9-4/h6,10-12,17-19H,7-9,13-16,20H2,1-5H3/b10-6+,12-11+,18-17+
InChIKeyBYOOMZPTWZVIOX-AOGLCUKNSA-N
XLogP6.88
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.65
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one?
The IUPAC name of 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one (CID 10835839) is 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one?
The canonical SMILES for 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one is C/C=C/C=C/CCCC/C=C/c1cc(OC)c(CO[Si](CC)(CC)CC)c(=O)o1.
What is the InChIKey of 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one?
The InChIKey is BYOOMZPTWZVIOX-AOGLCUKNSA-N. The full InChI is InChI=1S/C24H38O4Si/c1-6-10-11-12-13-14-15-16-17-18-21-19-23(26-5)22(24(25)28-21)20-27-29(7-2,8-3)9-4/h6,10-12,17-19H,7-9,13-16,20H2,1-5H3/b10-6+,12-11+,18-17+.
What are the key properties of 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one?
4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one has a molecular weight of 418.65 g/mol, XLogP of 6.88, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(triethylsilyloxymethyl)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one is sourced from PubChem (CID 10835839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).