1-(oxan-4-yl)dec-1-en-3-one

C15H26O2 — CID 57012759

IUPAC1-(oxan-4-yl)dec-1-en-3-one
SMILESCCCCCCCC(=O)C=CC1CCOCC1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-15(16)9-8-14-10-12-17-13-11-14/h8-9,14H,2-7,10-13H2,1H3
InChIKeyXQSAMWAPTDWLOQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.90
Rot. Bonds8

About 1-(oxan-4-yl)dec-1-en-3-one

1-(oxan-4-yl)dec-1-en-3-one (PubChem CID 57012759) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(oxan-4-yl)dec-1-en-3-one.

Molecular Properties

Compound Name1-(oxan-4-yl)dec-1-en-3-one
PubChem CID57012759
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-(oxan-4-yl)dec-1-en-3-one
SMILESCCCCCCCC(=O)C=CC1CCOCC1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-15(16)9-8-14-10-12-17-13-11-14/h8-9,14H,2-7,10-13H2,1H3
InChIKeyXQSAMWAPTDWLOQ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)dec-1-en-3-one?
The IUPAC name of 1-(oxan-4-yl)dec-1-en-3-one (CID 57012759) is 1-(oxan-4-yl)dec-1-en-3-one.
What is the SMILES notation for 1-(oxan-4-yl)dec-1-en-3-one?
The canonical SMILES for 1-(oxan-4-yl)dec-1-en-3-one is CCCCCCCC(=O)C=CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)dec-1-en-3-one?
The InChIKey is XQSAMWAPTDWLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-15(16)9-8-14-10-12-17-13-11-14/h8-9,14H,2-7,10-13H2,1H3.
What are the key properties of 1-(oxan-4-yl)dec-1-en-3-one?
1-(oxan-4-yl)dec-1-en-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)dec-1-en-3-one is sourced from PubChem (CID 57012759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).