4-butyl-5,6-dipropylpyran-2-one

C15H24O2 — CID 6424529

IUPAC4-butyl-5,6-dipropylpyran-2-one
SMILESCCCCc1cc(=O)oc(CCC)c1CCC
InChIInChI=1S/C15H24O2/c1-4-7-10-12-11-15(16)17-14(9-6-3)13(12)8-5-2/h11H,4-10H2,1-3H3
InChIKeyPGJOOPLRNDBWQX-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.89
Rot. Bonds7

About 4-butyl-5,6-dipropylpyran-2-one

4-butyl-5,6-dipropylpyran-2-one (PubChem CID 6424529) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-butyl-5,6-dipropylpyran-2-one.

Molecular Properties

Compound Name4-butyl-5,6-dipropylpyran-2-one
PubChem CID6424529
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-butyl-5,6-dipropylpyran-2-one
SMILESCCCCc1cc(=O)oc(CCC)c1CCC
InChIInChI=1S/C15H24O2/c1-4-7-10-12-11-15(16)17-14(9-6-3)13(12)8-5-2/h11H,4-10H2,1-3H3
InChIKeyPGJOOPLRNDBWQX-UHFFFAOYSA-N
XLogP3.89
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5,6-dipropylpyran-2-one?
The IUPAC name of 4-butyl-5,6-dipropylpyran-2-one (CID 6424529) is 4-butyl-5,6-dipropylpyran-2-one.
What is the SMILES notation for 4-butyl-5,6-dipropylpyran-2-one?
The canonical SMILES for 4-butyl-5,6-dipropylpyran-2-one is CCCCc1cc(=O)oc(CCC)c1CCC.
What is the InChIKey of 4-butyl-5,6-dipropylpyran-2-one?
The InChIKey is PGJOOPLRNDBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-7-10-12-11-15(16)17-14(9-6-3)13(12)8-5-2/h11H,4-10H2,1-3H3.
What are the key properties of 4-butyl-5,6-dipropylpyran-2-one?
4-butyl-5,6-dipropylpyran-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5,6-dipropylpyran-2-one is sourced from PubChem (CID 6424529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).