3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one

C17H28O3 — CID 10779149

IUPAC3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
SMILESO=C1C=C(CCCCCCOC2CCCCO2)CCC1
InChIInChI=1S/C17H28O3/c18-16-10-7-9-15(14-16)8-3-1-2-5-12-19-17-11-4-6-13-20-17/h14,17H,1-13H2
InChIKeyDNGRNZIVFOWDST-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.16
Rot. Bonds8

About 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one

3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one (PubChem CID 10779149) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
PubChem CID10779149
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
SMILESO=C1C=C(CCCCCCOC2CCCCO2)CCC1
InChIInChI=1S/C17H28O3/c18-16-10-7-9-15(14-16)8-3-1-2-5-12-19-17-11-4-6-13-20-17/h14,17H,1-13H2
InChIKeyDNGRNZIVFOWDST-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.16
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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Related Compounds

3-[4-(Oxan-2-yloxy)butyl]cyclohex-2-en-1-one
CID 135025098
3-[2-(1,3-Dioxan-2-yl)ethyl]-2-cyclohexen-1-one
CID 11310340
(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one
CID 13439915
(5S)-3-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 24776730
4-[2-(Oxan-2-yloxy)ethyl]-6-prop-1-en-2-ylcyclohex-3-en-1-one
CID 134858471
3-[4-(1,3-Dioxan-2-yl)butyl]cyclopent-2-en-1-one
CID 134963564
3-[4-(Oxan-2-yloxy)pentyl]cyclohex-2-en-1-one
CID 10730486
3-[3-(1,3-Dioxolan-2-yl)propyl]cyclohex-2-en-1-one
CID 12210045
(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one
CID 100939993
3-(2-(1,3-Dioxolan-2-yl)ethyl)cyclohex-2-en-1-one
CID 10921454
3-(Oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-one
CID 20041425
2-[7-[(Tetrahydro-2h-pyran-2-yl)oxy]heptyl]-2-cyclopenten-1-one
CID 21325442

Frequently Asked Questions

What is the IUPAC name of 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one (CID 10779149) is 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one is O=C1C=C(CCCCCCOC2CCCCO2)CCC1.
What is the InChIKey of 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one?
The InChIKey is DNGRNZIVFOWDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c18-16-10-7-9-15(14-16)8-3-1-2-5-12-19-17-11-4-6-13-20-17/h14,17H,1-13H2.
What are the key properties of 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one?
3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one has a molecular weight of 280.41 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(oxan-2-yloxy)hexyl]cyclohex-2-en-1-one is sourced from PubChem (CID 10779149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).