ethyl (Z)-4-oxodec-7-enoate

C12H20O3 — CID 11535838

IUPACethyl (Z)-4-oxodec-7-enoate
SMILESCC/C=C\CCC(=O)CCC(=O)OCC
InChIInChI=1S/C12H20O3/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyXBOWOKOGHZCGDS-WAYWQWQTSA-N
MW212.29 g/mol
LogP2.65
Rot. Bonds8

About ethyl (Z)-4-oxodec-7-enoate

ethyl (Z)-4-oxodec-7-enoate (PubChem CID 11535838) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl (Z)-4-oxodec-7-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-oxodec-7-enoate
PubChem CID11535838
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl (Z)-4-oxodec-7-enoate
SMILESCC/C=C\CCC(=O)CCC(=O)OCC
InChIInChI=1S/C12H20O3/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyXBOWOKOGHZCGDS-WAYWQWQTSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-4-oxodec-7-enoate?
The IUPAC name of ethyl (Z)-4-oxodec-7-enoate (CID 11535838) is ethyl (Z)-4-oxodec-7-enoate.
What is the SMILES notation for ethyl (Z)-4-oxodec-7-enoate?
The canonical SMILES for ethyl (Z)-4-oxodec-7-enoate is CC/C=C\CCC(=O)CCC(=O)OCC.
What is the InChIKey of ethyl (Z)-4-oxodec-7-enoate?
The InChIKey is XBOWOKOGHZCGDS-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-.
What are the key properties of ethyl (Z)-4-oxodec-7-enoate?
ethyl (Z)-4-oxodec-7-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-oxodec-7-enoate is sourced from PubChem (CID 11535838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).