9-(oxan-2-yloxy)non-2-en-4-one

C14H24O3 — CID 141358753

IUPAC9-(oxan-2-yloxy)non-2-en-4-one
SMILESCC=CC(=O)CCCCCOC1CCCCO1
InChIInChI=1S/C14H24O3/c1-2-8-13(15)9-4-3-6-11-16-14-10-5-7-12-17-14/h2,8,14H,3-7,9-12H2,1H3
InChIKeyABNOJPMCYYUGCP-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds8

About 9-(oxan-2-yloxy)non-2-en-4-one

9-(oxan-2-yloxy)non-2-en-4-one (PubChem CID 141358753) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 9-(oxan-2-yloxy)non-2-en-4-one.

Molecular Properties

Compound Name9-(oxan-2-yloxy)non-2-en-4-one
PubChem CID141358753
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name9-(oxan-2-yloxy)non-2-en-4-one
SMILESCC=CC(=O)CCCCCOC1CCCCO1
InChIInChI=1S/C14H24O3/c1-2-8-13(15)9-4-3-6-11-16-14-10-5-7-12-17-14/h2,8,14H,3-7,9-12H2,1H3
InChIKeyABNOJPMCYYUGCP-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(oxan-2-yloxy)non-2-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(Oxan-2-yloxy)butyl]cyclohex-2-en-1-one
CID 135025098
(e)-9-Tetrahydropyranyloxy-2-nonenal
CID 12963309
(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one
CID 13439915
(Z)-1-(1,3-Dioxan-2-yl)non-6-en-3-one
CID 20846346
(E)-2-(oxan-2-yloxy)dodec-9-en-6-one
CID 10016645
3-[4-(Oxan-2-yloxy)pentyl]cyclohex-2-en-1-one
CID 10730486
3-[6-(Oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
CID 10779149
(2R)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-one
CID 11769467
2-methoxy-2-[(E)-pent-3-enyl]oxan-4-one
CID 21726471
2-(3,3-Diethoxypropyl)cyclohex-2-en-1-one
CID 85749063
2-[7-[(Tetrahydro-2h-pyran-2-yl)oxy]heptyl]-2-cyclopenten-1-one
CID 21325442
9-(Oxan-2-yloxy)non-2-enal
CID 54087230

Frequently Asked Questions

What is the IUPAC name of 9-(oxan-2-yloxy)non-2-en-4-one?
The IUPAC name of 9-(oxan-2-yloxy)non-2-en-4-one (CID 141358753) is 9-(oxan-2-yloxy)non-2-en-4-one.
What is the SMILES notation for 9-(oxan-2-yloxy)non-2-en-4-one?
The canonical SMILES for 9-(oxan-2-yloxy)non-2-en-4-one is CC=CC(=O)CCCCCOC1CCCCO1.
What is the InChIKey of 9-(oxan-2-yloxy)non-2-en-4-one?
The InChIKey is ABNOJPMCYYUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-8-13(15)9-4-3-6-11-16-14-10-5-7-12-17-14/h2,8,14H,3-7,9-12H2,1H3.
What are the key properties of 9-(oxan-2-yloxy)non-2-en-4-one?
9-(oxan-2-yloxy)non-2-en-4-one has a molecular weight of 240.34 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-2-yloxy)non-2-en-4-one is sourced from PubChem (CID 141358753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).