ethyl 5,9-dimethylundeca-4,8-dienoate

C15H26O2 — CID 142391154

IUPACethyl 5,9-dimethylundeca-4,8-dienoate
SMILESCCOC(=O)CCC=C(C)CCC=C(C)CC
InChIInChI=1S/C15H26O2/c1-5-13(3)9-7-10-14(4)11-8-12-15(16)17-6-2/h9,11H,5-8,10,12H2,1-4H3
InChIKeyVSACJUMKEYLSAX-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds8

About ethyl 5,9-dimethylundeca-4,8-dienoate

ethyl 5,9-dimethylundeca-4,8-dienoate (PubChem CID 142391154) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl 5,9-dimethylundeca-4,8-dienoate.

Molecular Properties

Compound Nameethyl 5,9-dimethylundeca-4,8-dienoate
PubChem CID142391154
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl 5,9-dimethylundeca-4,8-dienoate
SMILESCCOC(=O)CCC=C(C)CCC=C(C)CC
InChIInChI=1S/C15H26O2/c1-5-13(3)9-7-10-14(4)11-8-12-15(16)17-6-2/h9,11H,5-8,10,12H2,1-4H3
InChIKeyVSACJUMKEYLSAX-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,9-dimethylundeca-4,8-dienoate?
The IUPAC name of ethyl 5,9-dimethylundeca-4,8-dienoate (CID 142391154) is ethyl 5,9-dimethylundeca-4,8-dienoate.
What is the SMILES notation for ethyl 5,9-dimethylundeca-4,8-dienoate?
The canonical SMILES for ethyl 5,9-dimethylundeca-4,8-dienoate is CCOC(=O)CCC=C(C)CCC=C(C)CC.
What is the InChIKey of ethyl 5,9-dimethylundeca-4,8-dienoate?
The InChIKey is VSACJUMKEYLSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-13(3)9-7-10-14(4)11-8-12-15(16)17-6-2/h9,11H,5-8,10,12H2,1-4H3.
What are the key properties of ethyl 5,9-dimethylundeca-4,8-dienoate?
ethyl 5,9-dimethylundeca-4,8-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,9-dimethylundeca-4,8-dienoate is sourced from PubChem (CID 142391154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).