2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one

C18H30O3 — CID 15179025

IUPAC2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one
SMILESCCCCCC(/C=C/C1CCCC1=O)OC1CCCCO1
InChIInChI=1S/C18H30O3/c1-2-3-4-9-16(21-18-11-5-6-14-20-18)13-12-15-8-7-10-17(15)19/h12-13,15-16,18H,2-11,14H2,1H3/b13-12+
InChIKeyZTEHEFXKEHXYLQ-OUKQBFOZSA-N
MW294.44 g/mol
LogP4.40
Rot. Bonds8

About 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one

2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one (PubChem CID 15179025) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one
PubChem CID15179025
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one
SMILESCCCCCC(/C=C/C1CCCC1=O)OC1CCCCO1
InChIInChI=1S/C18H30O3/c1-2-3-4-9-16(21-18-11-5-6-14-20-18)13-12-15-8-7-10-17(15)19/h12-13,15-16,18H,2-11,14H2,1H3/b13-12+
InChIKeyZTEHEFXKEHXYLQ-OUKQBFOZSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.40
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 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one?
The IUPAC name of 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one (CID 15179025) is 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one?
The canonical SMILES for 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one is CCCCCC(/C=C/C1CCCC1=O)OC1CCCCO1.
What is the InChIKey of 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one?
The InChIKey is ZTEHEFXKEHXYLQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-3-4-9-16(21-18-11-5-6-14-20-18)13-12-15-8-7-10-17(15)19/h12-13,15-16,18H,2-11,14H2,1H3/b13-12+.
What are the key properties of 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one?
2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one has a molecular weight of 294.44 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 15179025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).