6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one

C16H26O4Si — CID 15551236

IUPAC6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
SMILESC=CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C16H26O4Si/c1-6-7-13(2)15-10-14(11-16(17)20-15)19-12-18-8-9-21(3,4)5/h6,10-11,13H,1,7-9,12H2,2-5H3
InChIKeyZMKVATCEQCMCNY-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.01
Rot. Bonds9

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

6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one (PubChem CID 15551236) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one.

Molecular Properties

Compound Name6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
PubChem CID15551236
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
SMILESC=CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C16H26O4Si/c1-6-7-13(2)15-10-14(11-16(17)20-15)19-12-18-8-9-21(3,4)5/h6,10-11,13H,1,7-9,12H2,2-5H3
InChIKeyZMKVATCEQCMCNY-UHFFFAOYSA-N
XLogP4.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.01
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-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The IUPAC name of 6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one (CID 15551236) is 6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one.
What is the SMILES notation for 6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The canonical SMILES for 6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one is C=CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1.
What is the InChIKey of 6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The InChIKey is ZMKVATCEQCMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-6-7-13(2)15-10-14(11-16(17)20-15)19-12-18-8-9-21(3,4)5/h6,10-11,13H,1,7-9,12H2,2-5H3.
What are the key properties of 6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one has a molecular weight of 310.47 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one is sourced from PubChem (CID 15551236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).