6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one

C17H28O4Si — CID 140680033

IUPAC6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
SMILESC=CCCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C17H28O4Si/c1-6-7-8-14(2)16-11-15(12-17(18)21-16)20-13-19-9-10-22(3,4)5/h6,11-12,14H,1,7-10,13H2,2-5H3
InChIKeyUWFUVKYDTWWSLK-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.40
Rot. Bonds10

About 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one

6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one (PubChem CID 140680033) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one.

Molecular Properties

Compound Name6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
PubChem CID140680033
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
SMILESC=CCCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C17H28O4Si/c1-6-7-8-14(2)16-11-15(12-17(18)21-16)20-13-19-9-10-22(3,4)5/h6,11-12,14H,1,7-10,13H2,2-5H3
InChIKeyUWFUVKYDTWWSLK-UHFFFAOYSA-N
XLogP4.40
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.40
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The IUPAC name of 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one (CID 140680033) is 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one.
What is the SMILES notation for 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The canonical SMILES for 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one is C=CCCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1.
What is the InChIKey of 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The InChIKey is UWFUVKYDTWWSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-6-7-8-14(2)16-11-15(12-17(18)21-16)20-13-19-9-10-22(3,4)5/h6,11-12,14H,1,7-10,13H2,2-5H3.
What are the key properties of 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one has a molecular weight of 324.49 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one is sourced from PubChem (CID 140680033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).