3,5-diethyl-2,6-dipropylpyran-4-one

C15H24O2 — CID 20564045

IUPAC3,5-diethyl-2,6-dipropylpyran-4-one
SMILESCCCc1oc(CCC)c(CC)c(=O)c1CC
InChIInChI=1S/C15H24O2/c1-5-9-13-11(7-3)15(16)12(8-4)14(17-13)10-6-2/h5-10H2,1-4H3
InChIKeyHDMMQMQMPGGSFA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds6

About 3,5-diethyl-2,6-dipropylpyran-4-one

3,5-diethyl-2,6-dipropylpyran-4-one (PubChem CID 20564045) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3,5-diethyl-2,6-dipropylpyran-4-one.

Molecular Properties

Compound Name3,5-diethyl-2,6-dipropylpyran-4-one
PubChem CID20564045
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3,5-diethyl-2,6-dipropylpyran-4-one
SMILESCCCc1oc(CCC)c(CC)c(=O)c1CC
InChIInChI=1S/C15H24O2/c1-5-9-13-11(7-3)15(16)12(8-4)14(17-13)10-6-2/h5-10H2,1-4H3
InChIKeyHDMMQMQMPGGSFA-UHFFFAOYSA-N
XLogP3.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2,6-dipropylpyran-4-one?
The IUPAC name of 3,5-diethyl-2,6-dipropylpyran-4-one (CID 20564045) is 3,5-diethyl-2,6-dipropylpyran-4-one.
What is the SMILES notation for 3,5-diethyl-2,6-dipropylpyran-4-one?
The canonical SMILES for 3,5-diethyl-2,6-dipropylpyran-4-one is CCCc1oc(CCC)c(CC)c(=O)c1CC.
What is the InChIKey of 3,5-diethyl-2,6-dipropylpyran-4-one?
The InChIKey is HDMMQMQMPGGSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-9-13-11(7-3)15(16)12(8-4)14(17-13)10-6-2/h5-10H2,1-4H3.
What are the key properties of 3,5-diethyl-2,6-dipropylpyran-4-one?
3,5-diethyl-2,6-dipropylpyran-4-one has a molecular weight of 236.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,6-dipropylpyran-4-one is sourced from PubChem (CID 20564045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).