2-[(E)-dec-1-enyl]oxan-4-one

C15H26O2 — CID 11218643

IUPAC2-[(E)-dec-1-enyl]oxan-4-one
SMILESCCCCCCCC/C=C/C1CC(=O)CCO1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-15-13-14(16)11-12-17-15/h9-10,15H,2-8,11-13H2,1H3/b10-9+
InChIKeyGKCHEFLLHVIJAQ-MDZDMXLPSA-N
MW238.37 g/mol
LogP4.04
Rot. Bonds8

About 2-[(E)-dec-1-enyl]oxan-4-one

2-[(E)-dec-1-enyl]oxan-4-one (PubChem CID 11218643) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(E)-dec-1-enyl]oxan-4-one.

Molecular Properties

Compound Name2-[(E)-dec-1-enyl]oxan-4-one
PubChem CID11218643
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(E)-dec-1-enyl]oxan-4-one
SMILESCCCCCCCC/C=C/C1CC(=O)CCO1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-15-13-14(16)11-12-17-15/h9-10,15H,2-8,11-13H2,1H3/b10-9+
InChIKeyGKCHEFLLHVIJAQ-MDZDMXLPSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dec-1-enyl]oxan-4-one?
The IUPAC name of 2-[(E)-dec-1-enyl]oxan-4-one (CID 11218643) is 2-[(E)-dec-1-enyl]oxan-4-one.
What is the SMILES notation for 2-[(E)-dec-1-enyl]oxan-4-one?
The canonical SMILES for 2-[(E)-dec-1-enyl]oxan-4-one is CCCCCCCC/C=C/C1CC(=O)CCO1.
What is the InChIKey of 2-[(E)-dec-1-enyl]oxan-4-one?
The InChIKey is GKCHEFLLHVIJAQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-15-13-14(16)11-12-17-15/h9-10,15H,2-8,11-13H2,1H3/b10-9+.
What are the key properties of 2-[(E)-dec-1-enyl]oxan-4-one?
2-[(E)-dec-1-enyl]oxan-4-one has a molecular weight of 238.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dec-1-enyl]oxan-4-one is sourced from PubChem (CID 11218643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).