2-nonyl-2,3-dihydropyran-6-one

C14H24O2 — CID 15825660

IUPAC2-nonyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCC1CC=CC(=O)O1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h9,12-13H,2-8,10-11H2,1H3
InChIKeyCRCMEDPBLYDLQH-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds8

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

2-nonyl-2,3-dihydropyran-6-one (PubChem CID 15825660) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-nonyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-nonyl-2,3-dihydropyran-6-one
PubChem CID15825660
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-nonyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCC1CC=CC(=O)O1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h9,12-13H,2-8,10-11H2,1H3
InChIKeyCRCMEDPBLYDLQH-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
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-nonyl-2,3-dihydropyran-6-one?
The IUPAC name of 2-nonyl-2,3-dihydropyran-6-one (CID 15825660) is 2-nonyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-nonyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-nonyl-2,3-dihydropyran-6-one is CCCCCCCCCC1CC=CC(=O)O1.
What is the InChIKey of 2-nonyl-2,3-dihydropyran-6-one?
The InChIKey is CRCMEDPBLYDLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h9,12-13H,2-8,10-11H2,1H3.
What are the key properties of 2-nonyl-2,3-dihydropyran-6-one?
2-nonyl-2,3-dihydropyran-6-one has a molecular weight of 224.34 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 15825660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).