ethyl 5-tert-butylnona-3,4-dienoate

C15H26O2 — CID 14967439

IUPACethyl 5-tert-butylnona-3,4-dienoate
SMILESCCCCC(=C=CCC(=O)OCC)C(C)(C)C
InChIInChI=1S/C15H26O2/c1-6-8-10-13(15(3,4)5)11-9-12-14(16)17-7-2/h9H,6-8,10,12H2,1-5H3
InChIKeyHNVKJUMBWNIPPF-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.26
Rot. Bonds6

About ethyl 5-tert-butylnona-3,4-dienoate

ethyl 5-tert-butylnona-3,4-dienoate (PubChem CID 14967439) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl 5-tert-butylnona-3,4-dienoate.

Molecular Properties

Compound Nameethyl 5-tert-butylnona-3,4-dienoate
PubChem CID14967439
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl 5-tert-butylnona-3,4-dienoate
SMILESCCCCC(=C=CCC(=O)OCC)C(C)(C)C
InChIInChI=1S/C15H26O2/c1-6-8-10-13(15(3,4)5)11-9-12-14(16)17-7-2/h9H,6-8,10,12H2,1-5H3
InChIKeyHNVKJUMBWNIPPF-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-tert-butylnona-3,4-dienoate?
The IUPAC name of ethyl 5-tert-butylnona-3,4-dienoate (CID 14967439) is ethyl 5-tert-butylnona-3,4-dienoate.
What is the SMILES notation for ethyl 5-tert-butylnona-3,4-dienoate?
The canonical SMILES for ethyl 5-tert-butylnona-3,4-dienoate is CCCCC(=C=CCC(=O)OCC)C(C)(C)C.
What is the InChIKey of ethyl 5-tert-butylnona-3,4-dienoate?
The InChIKey is HNVKJUMBWNIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-8-10-13(15(3,4)5)11-9-12-14(16)17-7-2/h9H,6-8,10,12H2,1-5H3.
What are the key properties of ethyl 5-tert-butylnona-3,4-dienoate?
ethyl 5-tert-butylnona-3,4-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-tert-butylnona-3,4-dienoate is sourced from PubChem (CID 14967439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).