ethyl (7Z)-3-oxodeca-7,9-dienoate

C12H18O3 — CID 134879458

IUPACethyl (7Z)-3-oxodeca-7,9-dienoate
SMILESC=C/C=C\CCCC(=O)CC(=O)OCC
InChIInChI=1S/C12H18O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3,5-6H,1,4,7-10H2,2H3/b6-5-
InChIKeyKGQNTCMLCCRNIS-WAYWQWQTSA-N
MW210.27 g/mol
LogP2.42
Rot. Bonds8

About ethyl (7Z)-3-oxodeca-7,9-dienoate

ethyl (7Z)-3-oxodeca-7,9-dienoate (PubChem CID 134879458) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl (7Z)-3-oxodeca-7,9-dienoate.

Molecular Properties

Compound Nameethyl (7Z)-3-oxodeca-7,9-dienoate
PubChem CID134879458
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethyl (7Z)-3-oxodeca-7,9-dienoate
SMILESC=C/C=C\CCCC(=O)CC(=O)OCC
InChIInChI=1S/C12H18O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3,5-6H,1,4,7-10H2,2H3/b6-5-
InChIKeyKGQNTCMLCCRNIS-WAYWQWQTSA-N
XLogP2.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (7Z)-3-oxodeca-7,9-dienoate?
The IUPAC name of ethyl (7Z)-3-oxodeca-7,9-dienoate (CID 134879458) is ethyl (7Z)-3-oxodeca-7,9-dienoate.
What is the SMILES notation for ethyl (7Z)-3-oxodeca-7,9-dienoate?
The canonical SMILES for ethyl (7Z)-3-oxodeca-7,9-dienoate is C=C/C=C\CCCC(=O)CC(=O)OCC.
What is the InChIKey of ethyl (7Z)-3-oxodeca-7,9-dienoate?
The InChIKey is KGQNTCMLCCRNIS-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3,5-6H,1,4,7-10H2,2H3/b6-5-.
What are the key properties of ethyl (7Z)-3-oxodeca-7,9-dienoate?
ethyl (7Z)-3-oxodeca-7,9-dienoate has a molecular weight of 210.27 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7Z)-3-oxodeca-7,9-dienoate is sourced from PubChem (CID 134879458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).