1-(oxan-2-yloxy)non-7-en-4-one

C14H24O3 — CID 71328956

IUPAC1-(oxan-2-yloxy)non-7-en-4-one
SMILESCC=CCCC(=O)CCCOC1CCCCO1
InChIInChI=1S/C14H24O3/c1-2-3-4-8-13(15)9-7-12-17-14-10-5-6-11-16-14/h2-3,14H,4-12H2,1H3
InChIKeySMCKPVXHZYYOEM-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds8

About 1-(oxan-2-yloxy)non-7-en-4-one

1-(oxan-2-yloxy)non-7-en-4-one (PubChem CID 71328956) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 1-(oxan-2-yloxy)non-7-en-4-one.

Molecular Properties

Compound Name1-(oxan-2-yloxy)non-7-en-4-one
PubChem CID71328956
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name1-(oxan-2-yloxy)non-7-en-4-one
SMILESCC=CCCC(=O)CCCOC1CCCCO1
InChIInChI=1S/C14H24O3/c1-2-3-4-8-13(15)9-7-12-17-14-10-5-6-11-16-14/h2-3,14H,4-12H2,1H3
InChIKeySMCKPVXHZYYOEM-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yloxy)non-7-en-4-one?
The IUPAC name of 1-(oxan-2-yloxy)non-7-en-4-one (CID 71328956) is 1-(oxan-2-yloxy)non-7-en-4-one.
What is the SMILES notation for 1-(oxan-2-yloxy)non-7-en-4-one?
The canonical SMILES for 1-(oxan-2-yloxy)non-7-en-4-one is CC=CCCC(=O)CCCOC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yloxy)non-7-en-4-one?
The InChIKey is SMCKPVXHZYYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-8-13(15)9-7-12-17-14-10-5-6-11-16-14/h2-3,14H,4-12H2,1H3.
What are the key properties of 1-(oxan-2-yloxy)non-7-en-4-one?
1-(oxan-2-yloxy)non-7-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 1-(oxan-2-yloxy)non-7-en-4-one is sourced from PubChem (CID 71328956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).