2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one

C16H26O3 — CID 57275588

IUPAC2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one
SMILESO=C1CCC=C1CCCCCCOC1CCCCO1
InChIInChI=1S/C16H26O3/c17-15-10-7-9-14(15)8-3-1-2-5-12-18-16-11-4-6-13-19-16/h9,16H,1-8,10-13H2
InChIKeyCHJMJMHXCJYESW-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.77
Rot. Bonds8

About 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one

2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one (PubChem CID 57275588) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one
PubChem CID57275588
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one
SMILESO=C1CCC=C1CCCCCCOC1CCCCO1
InChIInChI=1S/C16H26O3/c17-15-10-7-9-14(15)8-3-1-2-5-12-18-16-11-4-6-13-19-16/h9,16H,1-8,10-13H2
InChIKeyCHJMJMHXCJYESW-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one (CID 57275588) is 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one is O=C1CCC=C1CCCCCCOC1CCCCO1.
What is the InChIKey of 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one?
The InChIKey is CHJMJMHXCJYESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c17-15-10-7-9-14(15)8-3-1-2-5-12-18-16-11-4-6-13-19-16/h9,16H,1-8,10-13H2.
What are the key properties of 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one?
2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one has a molecular weight of 266.38 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(oxan-2-yloxy)hexyl]cyclopent-2-en-1-one is sourced from PubChem (CID 57275588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).