ethyl 2-(5-acetyldec-9-enoxy)acetate

C16H28O4 — CID 22759292

IUPACethyl 2-(5-acetyldec-9-enoxy)acetate
SMILESC=CCCCC(CCCCOCC(=O)OCC)C(C)=O
InChIInChI=1S/C16H28O4/c1-4-6-7-10-15(14(3)17)11-8-9-12-19-13-16(18)20-5-2/h4,15H,1,5-13H2,2-3H3
InChIKeyRKKKIDHMTLXZFB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.30
Rot. Bonds13

About ethyl 2-(5-acetyldec-9-enoxy)acetate

ethyl 2-(5-acetyldec-9-enoxy)acetate (PubChem CID 22759292) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-(5-acetyldec-9-enoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(5-acetyldec-9-enoxy)acetate
PubChem CID22759292
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Nameethyl 2-(5-acetyldec-9-enoxy)acetate
SMILESC=CCCCC(CCCCOCC(=O)OCC)C(C)=O
InChIInChI=1S/C16H28O4/c1-4-6-7-10-15(14(3)17)11-8-9-12-19-13-16(18)20-5-2/h4,15H,1,5-13H2,2-3H3
InChIKeyRKKKIDHMTLXZFB-UHFFFAOYSA-N
XLogP3.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-acetyldec-9-enoxy)acetate?
The IUPAC name of ethyl 2-(5-acetyldec-9-enoxy)acetate (CID 22759292) is ethyl 2-(5-acetyldec-9-enoxy)acetate.
What is the SMILES notation for ethyl 2-(5-acetyldec-9-enoxy)acetate?
The canonical SMILES for ethyl 2-(5-acetyldec-9-enoxy)acetate is C=CCCCC(CCCCOCC(=O)OCC)C(C)=O.
What is the InChIKey of ethyl 2-(5-acetyldec-9-enoxy)acetate?
The InChIKey is RKKKIDHMTLXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-6-7-10-15(14(3)17)11-8-9-12-19-13-16(18)20-5-2/h4,15H,1,5-13H2,2-3H3.
What are the key properties of ethyl 2-(5-acetyldec-9-enoxy)acetate?
ethyl 2-(5-acetyldec-9-enoxy)acetate has a molecular weight of 284.40 g/mol, XLogP of 3.30, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-acetyldec-9-enoxy)acetate is sourced from PubChem (CID 22759292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).