3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one

C16H26O3 — CID 10730486

IUPAC3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one
SMILESCC(CCCC1=CC(=O)CCC1)OC1CCCCO1
InChIInChI=1S/C16H26O3/c1-13(19-16-10-2-3-11-18-16)6-4-7-14-8-5-9-15(17)12-14/h12-13,16H,2-11H2,1H3
InChIKeyYCTOWIBDYYRRIS-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.77
Rot. Bonds6

About 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one

3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one (PubChem CID 10730486) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one
PubChem CID10730486
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one
SMILESCC(CCCC1=CC(=O)CCC1)OC1CCCCO1
InChIInChI=1S/C16H26O3/c1-13(19-16-10-2-3-11-18-16)6-4-7-14-8-5-9-15(17)12-14/h12-13,16H,2-11H2,1H3
InChIKeyYCTOWIBDYYRRIS-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

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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
(E)-2-(oxan-2-yloxy)dodec-9-en-6-one
CID 10016645
3-[6-(Oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
CID 10779149
(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one
CID 100939993
2-[7-[(Tetrahydro-2h-pyran-2-yl)oxy]heptyl]-2-cyclopenten-1-one
CID 21325442
Oxan-2-yl 7-(5-oxocyclopenten-1-yl)heptanoate
CID 21521682
Oxan-2-yl 8-(5-oxocyclopenten-1-yl)octanoate
CID 21521699

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one (CID 10730486) is 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one is CC(CCCC1=CC(=O)CCC1)OC1CCCCO1.
What is the InChIKey of 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one?
The InChIKey is YCTOWIBDYYRRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-13(19-16-10-2-3-11-18-16)6-4-7-14-8-5-9-15(17)12-14/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one?
3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one has a molecular weight of 266.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-2-yloxy)pentyl]cyclohex-2-en-1-one is sourced from PubChem (CID 10730486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).