2-undecyloxolan-3-one

C15H28O2 — CID 134857697

IUPAC2-undecyloxolan-3-one
SMILESCCCCCCCCCCCC1OCCC1=O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-14(16)12-13-17-15/h15H,2-13H2,1H3
InChIKeyJLIKVOXHLVOGTD-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.27
Rot. Bonds10

About 2-undecyloxolan-3-one

2-undecyloxolan-3-one (PubChem CID 134857697) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-undecyloxolan-3-one.

Molecular Properties

Compound Name2-undecyloxolan-3-one
PubChem CID134857697
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-undecyloxolan-3-one
SMILESCCCCCCCCCCCC1OCCC1=O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-14(16)12-13-17-15/h15H,2-13H2,1H3
InChIKeyJLIKVOXHLVOGTD-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.27
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-undecyloxolan-3-one?
The IUPAC name of 2-undecyloxolan-3-one (CID 134857697) is 2-undecyloxolan-3-one.
What is the SMILES notation for 2-undecyloxolan-3-one?
The canonical SMILES for 2-undecyloxolan-3-one is CCCCCCCCCCCC1OCCC1=O.
What is the InChIKey of 2-undecyloxolan-3-one?
The InChIKey is JLIKVOXHLVOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-14(16)12-13-17-15/h15H,2-13H2,1H3.
What are the key properties of 2-undecyloxolan-3-one?
2-undecyloxolan-3-one has a molecular weight of 240.39 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyloxolan-3-one is sourced from PubChem (CID 134857697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).