2-pentadecyl-2,3-dihydropyran-6-one

C20H36O2 — CID 11415609

IUPAC2-pentadecyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCCCCC1CC=CC(=O)O1
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3
InChIKeyXHFKKMXWXSWHOZ-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.34
Rot. Bonds14

About 2-pentadecyl-2,3-dihydropyran-6-one

2-pentadecyl-2,3-dihydropyran-6-one (PubChem CID 11415609) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-pentadecyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-pentadecyl-2,3-dihydropyran-6-one
PubChem CID11415609
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2-pentadecyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCCCCC1CC=CC(=O)O1
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3
InChIKeyXHFKKMXWXSWHOZ-UHFFFAOYSA-N
XLogP6.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.34
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 2-pentadecyl-2,3-dihydropyran-6-one?
The IUPAC name of 2-pentadecyl-2,3-dihydropyran-6-one (CID 11415609) is 2-pentadecyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-pentadecyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-pentadecyl-2,3-dihydropyran-6-one is CCCCCCCCCCCCCCCC1CC=CC(=O)O1.
What is the InChIKey of 2-pentadecyl-2,3-dihydropyran-6-one?
The InChIKey is XHFKKMXWXSWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3.
What are the key properties of 2-pentadecyl-2,3-dihydropyran-6-one?
2-pentadecyl-2,3-dihydropyran-6-one has a molecular weight of 308.51 g/mol, XLogP of 6.34, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 11415609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).