ethyl 5-methylnona-3,4-dienoate

C12H20O2 — CID 14691755

IUPACethyl 5-methylnona-3,4-dienoate
SMILESCCCCC(C)=C=CCC(=O)OCC
InChIInChI=1S/C12H20O2/c1-4-6-8-11(3)9-7-10-12(13)14-5-2/h7H,4-6,8,10H2,1-3H3
InChIKeyRODXIDJXZYIFHD-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.23
Rot. Bonds6

About ethyl 5-methylnona-3,4-dienoate

ethyl 5-methylnona-3,4-dienoate (PubChem CID 14691755) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethyl 5-methylnona-3,4-dienoate.

Molecular Properties

Compound Nameethyl 5-methylnona-3,4-dienoate
PubChem CID14691755
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethyl 5-methylnona-3,4-dienoate
SMILESCCCCC(C)=C=CCC(=O)OCC
InChIInChI=1S/C12H20O2/c1-4-6-8-11(3)9-7-10-12(13)14-5-2/h7H,4-6,8,10H2,1-3H3
InChIKeyRODXIDJXZYIFHD-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 5-methylnona-3,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylnona-3,4-dienoate?
The IUPAC name of ethyl 5-methylnona-3,4-dienoate (CID 14691755) is ethyl 5-methylnona-3,4-dienoate.
What is the SMILES notation for ethyl 5-methylnona-3,4-dienoate?
The canonical SMILES for ethyl 5-methylnona-3,4-dienoate is CCCCC(C)=C=CCC(=O)OCC.
What is the InChIKey of ethyl 5-methylnona-3,4-dienoate?
The InChIKey is RODXIDJXZYIFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-6-8-11(3)9-7-10-12(13)14-5-2/h7H,4-6,8,10H2,1-3H3.
What are the key properties of ethyl 5-methylnona-3,4-dienoate?
ethyl 5-methylnona-3,4-dienoate has a molecular weight of 196.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methylnona-3,4-dienoate is sourced from PubChem (CID 14691755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).