ethyl 2,2,5-trimethylnona-3,4-dienoate

C14H24O2 — CID 15681080

IUPACethyl 2,2,5-trimethylnona-3,4-dienoate
SMILESCCCCC(C)=C=CC(C)(C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-6-8-9-12(3)10-11-14(4,5)13(15)16-7-2/h11H,6-9H2,1-5H3
InChIKeyMEEYBIVCOURCQS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.87
Rot. Bonds6

About ethyl 2,2,5-trimethylnona-3,4-dienoate

ethyl 2,2,5-trimethylnona-3,4-dienoate (PubChem CID 15681080) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2,2,5-trimethylnona-3,4-dienoate.

Molecular Properties

Compound Nameethyl 2,2,5-trimethylnona-3,4-dienoate
PubChem CID15681080
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2,2,5-trimethylnona-3,4-dienoate
SMILESCCCCC(C)=C=CC(C)(C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-6-8-9-12(3)10-11-14(4,5)13(15)16-7-2/h11H,6-9H2,1-5H3
InChIKeyMEEYBIVCOURCQS-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 4-methylundeca-2,3-dienoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,5-trimethylnona-3,4-dienoate?
The IUPAC name of ethyl 2,2,5-trimethylnona-3,4-dienoate (CID 15681080) is ethyl 2,2,5-trimethylnona-3,4-dienoate.
What is the SMILES notation for ethyl 2,2,5-trimethylnona-3,4-dienoate?
The canonical SMILES for ethyl 2,2,5-trimethylnona-3,4-dienoate is CCCCC(C)=C=CC(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2,2,5-trimethylnona-3,4-dienoate?
The InChIKey is MEEYBIVCOURCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-8-9-12(3)10-11-14(4,5)13(15)16-7-2/h11H,6-9H2,1-5H3.
What are the key properties of ethyl 2,2,5-trimethylnona-3,4-dienoate?
ethyl 2,2,5-trimethylnona-3,4-dienoate has a molecular weight of 224.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,5-trimethylnona-3,4-dienoate is sourced from PubChem (CID 15681080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).