ethyl 10-ethylperoxy-10-oxodecanoate

C14H26O5 — CID 23158818

IUPACethyl 10-ethylperoxy-10-oxodecanoate
SMILESCCOOC(=O)CCCCCCCCC(=O)OCC
InChIInChI=1S/C14H26O5/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)19-18-4-2/h3-12H2,1-2H3
InChIKeyYPKGFKALXAKELB-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.16
Rot. Bonds12

About ethyl 10-ethylperoxy-10-oxodecanoate

ethyl 10-ethylperoxy-10-oxodecanoate (PubChem CID 23158818) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 10-ethylperoxy-10-oxodecanoate.

Molecular Properties

Compound Nameethyl 10-ethylperoxy-10-oxodecanoate
PubChem CID23158818
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Nameethyl 10-ethylperoxy-10-oxodecanoate
SMILESCCOOC(=O)CCCCCCCCC(=O)OCC
InChIInChI=1S/C14H26O5/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)19-18-4-2/h3-12H2,1-2H3
InChIKeyYPKGFKALXAKELB-UHFFFAOYSA-N
XLogP3.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl 5-(methoxymethylperoxy)-5-oxopentanoate
CID 174421827
23-ethoxy-23-oxotricosanoic acid
CID 67326593
ethyl decanoate;methanol
CID 161391102
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
diethyl decanedioate;propanedioic acid
CID 174518023

Frequently Asked Questions

What is the IUPAC name of ethyl 10-ethylperoxy-10-oxodecanoate?
The IUPAC name of ethyl 10-ethylperoxy-10-oxodecanoate (CID 23158818) is ethyl 10-ethylperoxy-10-oxodecanoate.
What is the SMILES notation for ethyl 10-ethylperoxy-10-oxodecanoate?
The canonical SMILES for ethyl 10-ethylperoxy-10-oxodecanoate is CCOOC(=O)CCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl 10-ethylperoxy-10-oxodecanoate?
The InChIKey is YPKGFKALXAKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)19-18-4-2/h3-12H2,1-2H3.
What are the key properties of ethyl 10-ethylperoxy-10-oxodecanoate?
ethyl 10-ethylperoxy-10-oxodecanoate has a molecular weight of 274.36 g/mol, XLogP of 3.16, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-ethylperoxy-10-oxodecanoate is sourced from PubChem (CID 23158818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).