6-pentyl-4-propylpyran-2-one

C13H20O2 — CID 164686789

IUPAC6-pentyl-4-propylpyran-2-one
SMILESCCCCCc1cc(CCC)cc(=O)o1
InChIInChI=1S/C13H20O2/c1-3-5-6-8-12-9-11(7-4-2)10-13(14)15-12/h9-10H,3-8H2,1-2H3
InChIKeyYUEQWGJTSLBVKV-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.33
Rot. Bonds6

About 6-pentyl-4-propylpyran-2-one

6-pentyl-4-propylpyran-2-one (PubChem CID 164686789) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-pentyl-4-propylpyran-2-one.

Molecular Properties

Compound Name6-pentyl-4-propylpyran-2-one
PubChem CID164686789
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name6-pentyl-4-propylpyran-2-one
SMILESCCCCCc1cc(CCC)cc(=O)o1
InChIInChI=1S/C13H20O2/c1-3-5-6-8-12-9-11(7-4-2)10-13(14)15-12/h9-10H,3-8H2,1-2H3
InChIKeyYUEQWGJTSLBVKV-UHFFFAOYSA-N
XLogP3.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-4-propylpyran-2-one?
The IUPAC name of 6-pentyl-4-propylpyran-2-one (CID 164686789) is 6-pentyl-4-propylpyran-2-one.
What is the SMILES notation for 6-pentyl-4-propylpyran-2-one?
The canonical SMILES for 6-pentyl-4-propylpyran-2-one is CCCCCc1cc(CCC)cc(=O)o1.
What is the InChIKey of 6-pentyl-4-propylpyran-2-one?
The InChIKey is YUEQWGJTSLBVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-6-8-12-9-11(7-4-2)10-13(14)15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-pentyl-4-propylpyran-2-one?
6-pentyl-4-propylpyran-2-one has a molecular weight of 208.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-4-propylpyran-2-one is sourced from PubChem (CID 164686789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).