5,6-dibutyl-5-ethyloxan-2-one

C15H28O2 — CID 24975032

IUPAC5,6-dibutyl-5-ethyloxan-2-one
SMILESCCCCC1OC(=O)CCC1(CC)CCCC
InChIInChI=1S/C15H28O2/c1-4-7-9-13-15(6-3,11-8-5-2)12-10-14(16)17-13/h13H,4-12H2,1-3H3
InChIKeyFKOPYVJZTXDSBH-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds7

About 5,6-dibutyl-5-ethyloxan-2-one

5,6-dibutyl-5-ethyloxan-2-one (PubChem CID 24975032) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5,6-dibutyl-5-ethyloxan-2-one.

Molecular Properties

Compound Name5,6-dibutyl-5-ethyloxan-2-one
PubChem CID24975032
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5,6-dibutyl-5-ethyloxan-2-one
SMILESCCCCC1OC(=O)CCC1(CC)CCCC
InChIInChI=1S/C15H28O2/c1-4-7-9-13-15(6-3,11-8-5-2)12-10-14(16)17-13/h13H,4-12H2,1-3H3
InChIKeyFKOPYVJZTXDSBH-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dibutyloxan-2-one
CID 10822452
(5R)-5-butyloxolan-2-one
CID 7057971
6-butyl-1-methyl-2-oxabicyclo[4.1.0]heptan-3-one
CID 15455654
1-hexadecyl-6-hydroxy-2-nonyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 140629672
(5S)-5-tridecyloxolan-2-one
CID 11065462
5-octyloxolan-2-one
CID 16821
(5S)-5-pentacosyloxolan-2-one
CID 11102176
2-butyl-1-oxaspiro[2.5]octane
CID 10877532
(4Z)-2-butyl-2,3,6,7-tetrahydrooxocin-8-one
CID 101251171
(3aR,4S,5R,6aS)-4-butyl-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59146605
6-undecyloxane-2,5-dione
CID 70399836
3-butyloxiran-2-one
CID 18762090

Frequently Asked Questions

What is the IUPAC name of 5,6-dibutyl-5-ethyloxan-2-one?
The IUPAC name of 5,6-dibutyl-5-ethyloxan-2-one (CID 24975032) is 5,6-dibutyl-5-ethyloxan-2-one.
What is the SMILES notation for 5,6-dibutyl-5-ethyloxan-2-one?
The canonical SMILES for 5,6-dibutyl-5-ethyloxan-2-one is CCCCC1OC(=O)CCC1(CC)CCCC.
What is the InChIKey of 5,6-dibutyl-5-ethyloxan-2-one?
The InChIKey is FKOPYVJZTXDSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-7-9-13-15(6-3,11-8-5-2)12-10-14(16)17-13/h13H,4-12H2,1-3H3.
What are the key properties of 5,6-dibutyl-5-ethyloxan-2-one?
5,6-dibutyl-5-ethyloxan-2-one has a molecular weight of 240.39 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutyl-5-ethyloxan-2-one is sourced from PubChem (CID 24975032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).