5-(oxan-2-yl)hex-5-en-2-one

C11H18O2 — CID 86206009

IUPAC5-(oxan-2-yl)hex-5-en-2-one
SMILESC=C(CCC(C)=O)C1CCCCO1
InChIInChI=1S/C11H18O2/c1-9(6-7-10(2)12)11-5-3-4-8-13-11/h11H,1,3-8H2,2H3
InChIKeyFUAATNXBOSETGF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds4

About 5-(oxan-2-yl)hex-5-en-2-one

5-(oxan-2-yl)hex-5-en-2-one (PubChem CID 86206009) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-(oxan-2-yl)hex-5-en-2-one.

Molecular Properties

Compound Name5-(oxan-2-yl)hex-5-en-2-one
PubChem CID86206009
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-(oxan-2-yl)hex-5-en-2-one
SMILESC=C(CCC(C)=O)C1CCCCO1
InChIInChI=1S/C11H18O2/c1-9(6-7-10(2)12)11-5-3-4-8-13-11/h11H,1,3-8H2,2H3
InChIKeyFUAATNXBOSETGF-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Heptyl-3-methylideneoxan-2-one
CID 12841796
6-Octoxyoct-7-en-2-one
CID 85965226
7-(Methoxymethyl)oct-7-en-2-one
CID 90464295
1-(4-Ethoxy-3-methylidenecyclohexyl)ethanone
CID 91381988
3-Methylidene-6-prop-1-en-2-yloxan-2-one
CID 172207410
6-But-1-en-2-yloxan-2-one
CID 175565114
6-Hexyl-3-methylideneoxan-2-one
CID 9990273
(2-Methyl-7-oxooct-1-en-3-yl) acetate
CID 10845641
5-(Oxolan-2-yl)hex-5-en-2-one
CID 11789604
(3S,6S)-3-methyl-5-methylidene-6-propan-2-yloxan-2-one
CID 11789609
6-Ethyl-3-methylideneoxan-2-one
CID 13757218
[7-Oxo-2-(trideuteriomethyl)oct-1-en-3-yl] acetate
CID 100967007

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)hex-5-en-2-one?
The IUPAC name of 5-(oxan-2-yl)hex-5-en-2-one (CID 86206009) is 5-(oxan-2-yl)hex-5-en-2-one.
What is the SMILES notation for 5-(oxan-2-yl)hex-5-en-2-one?
The canonical SMILES for 5-(oxan-2-yl)hex-5-en-2-one is C=C(CCC(C)=O)C1CCCCO1.
What is the InChIKey of 5-(oxan-2-yl)hex-5-en-2-one?
The InChIKey is FUAATNXBOSETGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(6-7-10(2)12)11-5-3-4-8-13-11/h11H,1,3-8H2,2H3.
What are the key properties of 5-(oxan-2-yl)hex-5-en-2-one?
5-(oxan-2-yl)hex-5-en-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)hex-5-en-2-one is sourced from PubChem (CID 86206009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).