ethyl 2-oxoundecanoate

C13H24O3 — CID 11218442

IUPACethyl 2-oxoundecanoate
SMILESCCCCCCCCCC(=O)C(=O)OCC
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12(14)13(15)16-4-2/h3-11H2,1-2H3
InChIKeyDIIFYKSKOPHSSA-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.26
Rot. Bonds10

About ethyl 2-oxoundecanoate

ethyl 2-oxoundecanoate (PubChem CID 11218442) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 2-oxoundecanoate.

Molecular Properties

Compound Nameethyl 2-oxoundecanoate
PubChem CID11218442
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 2-oxoundecanoate
SMILESCCCCCCCCCC(=O)C(=O)OCC
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12(14)13(15)16-4-2/h3-11H2,1-2H3
InChIKeyDIIFYKSKOPHSSA-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl Heptanoate
CID 7797
Diethyl Sebacate
CID 8049
Ethyl Dodecanoate
CID 7800
Hexyl Octanoate
CID 14228
Ethyl octanoate
CID 7799
Ethyl Nonanoate
CID 31251
Ethyl caprate
CID 8048
Butyl heptanoate
CID 21596
Isopropyl dodecanoate
CID 25068
Pentadecalactone
CID 235414
Propyl octanoate
CID 69351
Propyl caprate
CID 121739

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxoundecanoate?
The IUPAC name of ethyl 2-oxoundecanoate (CID 11218442) is ethyl 2-oxoundecanoate.
What is the SMILES notation for ethyl 2-oxoundecanoate?
The canonical SMILES for ethyl 2-oxoundecanoate is CCCCCCCCCC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-oxoundecanoate?
The InChIKey is DIIFYKSKOPHSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12(14)13(15)16-4-2/h3-11H2,1-2H3.
What are the key properties of ethyl 2-oxoundecanoate?
ethyl 2-oxoundecanoate has a molecular weight of 228.33 g/mol, XLogP of 3.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxoundecanoate is sourced from PubChem (CID 11218442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).