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

C17H28O2 — CID 6424564

IUPAC4-hexyl-5,6-dipropylpyran-2-one
SMILESCCCCCCc1cc(=O)oc(CCC)c1CCC
InChIInChI=1S/C17H28O2/c1-4-7-8-9-12-14-13-17(18)19-16(11-6-3)15(14)10-5-2/h13H,4-12H2,1-3H3
InChIKeyBTAZJLMBFZCWAZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.67
Rot. Bonds9

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

4-hexyl-5,6-dipropylpyran-2-one (PubChem CID 6424564) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-hexyl-5,6-dipropylpyran-2-one.

Molecular Properties

Compound Name4-hexyl-5,6-dipropylpyran-2-one
PubChem CID6424564
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name4-hexyl-5,6-dipropylpyran-2-one
SMILESCCCCCCc1cc(=O)oc(CCC)c1CCC
InChIInChI=1S/C17H28O2/c1-4-7-8-9-12-14-13-17(18)19-16(11-6-3)15(14)10-5-2/h13H,4-12H2,1-3H3
InChIKeyBTAZJLMBFZCWAZ-UHFFFAOYSA-N
XLogP4.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hexyl-5,6-dipropylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-6-[8-(4-methyl-2-oxo-2H-pyran-6-yl)octyl]-2H-pyran-2-one
CID 1810986
2H-Pyran-2-one, 4-methoxy-5-methyl-6-propyl-
CID 11309896
2H-Pyran-2-one, 4-methyl-6-pentyl-
CID 11401122
4-Hydroxy-6-undecyl-2H-pyran-2-one
CID 54693753
4-Hydroxy-6-pentadecylpyran-2-one
CID 54698088
Iromycin Mo
CID 54732498
4-Methyl-6-isobutyl-2-pyranone
CID 6429146
4-Ethyl-6-methylpyran-2-one
CID 13758628
6-Heptyl-4-methylpyran-2-one
CID 21520139
4-Methoxy-6-nonylpyran-2-one
CID 44264720
Citreomontanine
CID 6397187
6-Heptyl-2H-pyran-2-one
CID 12271150

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-5,6-dipropylpyran-2-one?
The IUPAC name of 4-hexyl-5,6-dipropylpyran-2-one (CID 6424564) is 4-hexyl-5,6-dipropylpyran-2-one.
What is the SMILES notation for 4-hexyl-5,6-dipropylpyran-2-one?
The canonical SMILES for 4-hexyl-5,6-dipropylpyran-2-one is CCCCCCc1cc(=O)oc(CCC)c1CCC.
What is the InChIKey of 4-hexyl-5,6-dipropylpyran-2-one?
The InChIKey is BTAZJLMBFZCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-7-8-9-12-14-13-17(18)19-16(11-6-3)15(14)10-5-2/h13H,4-12H2,1-3H3.
What are the key properties of 4-hexyl-5,6-dipropylpyran-2-one?
4-hexyl-5,6-dipropylpyran-2-one has a molecular weight of 264.41 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-5,6-dipropylpyran-2-one is sourced from PubChem (CID 6424564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).