2-undecyl-2,3-dihydropyran-6-one

C16H28O2 — CID 10923030

IUPAC2-undecyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCC1CC=CC(=O)O1
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,14-15H,2-10,12-13H2,1H3
InChIKeyLIIXNZRSHIMJDW-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.78
Rot. Bonds10

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

2-undecyl-2,3-dihydropyran-6-one (PubChem CID 10923030) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-undecyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-undecyl-2,3-dihydropyran-6-one
PubChem CID10923030
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-undecyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCC1CC=CC(=O)O1
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,14-15H,2-10,12-13H2,1H3
InChIKeyLIIXNZRSHIMJDW-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.78
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-undecyl-2,3-dihydropyran-6-one?
The IUPAC name of 2-undecyl-2,3-dihydropyran-6-one (CID 10923030) is 2-undecyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-undecyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-undecyl-2,3-dihydropyran-6-one is CCCCCCCCCCCC1CC=CC(=O)O1.
What is the InChIKey of 2-undecyl-2,3-dihydropyran-6-one?
The InChIKey is LIIXNZRSHIMJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,14-15H,2-10,12-13H2,1H3.
What are the key properties of 2-undecyl-2,3-dihydropyran-6-one?
2-undecyl-2,3-dihydropyran-6-one has a molecular weight of 252.40 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 10923030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).