ethyl (2E,4E)-8-chloroocta-2,4-dienoate

C10H15ClO2 — CID 24973532

IUPACethyl (2E,4E)-8-chloroocta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CCCCl
InChIInChI=1S/C10H15ClO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h3-4,6,8H,2,5,7,9H2,1H3/b4-3+,8-6+
InChIKeyCAVCBBUEGYOBJT-PBOULFJWSA-N
MW202.68 g/mol
LogP2.68
Rot. Bonds6

About ethyl (2E,4E)-8-chloroocta-2,4-dienoate

ethyl (2E,4E)-8-chloroocta-2,4-dienoate (PubChem CID 24973532) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is ethyl (2E,4E)-8-chloroocta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-8-chloroocta-2,4-dienoate
PubChem CID24973532
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Nameethyl (2E,4E)-8-chloroocta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CCCCl
InChIInChI=1S/C10H15ClO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h3-4,6,8H,2,5,7,9H2,1H3/b4-3+,8-6+
InChIKeyCAVCBBUEGYOBJT-PBOULFJWSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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ethyl (E)-6-chloro-3-fluorohex-2-enoate
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ethyl (E)-3-(2-chlorocyclopenten-1-yl)prop-2-enoate
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ethyl (E)-4-chlorohept-2-enoate
CID 20288692
6-Chloro-2-hexenoic acid methyl ester
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Ethyl 7-chlorohept-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-8-chloroocta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-8-chloroocta-2,4-dienoate (CID 24973532) is ethyl (2E,4E)-8-chloroocta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-8-chloroocta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-8-chloroocta-2,4-dienoate is CCOC(=O)/C=C/C=C/CCCCl.
What is the InChIKey of ethyl (2E,4E)-8-chloroocta-2,4-dienoate?
The InChIKey is CAVCBBUEGYOBJT-PBOULFJWSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h3-4,6,8H,2,5,7,9H2,1H3/b4-3+,8-6+.
What are the key properties of ethyl (2E,4E)-8-chloroocta-2,4-dienoate?
ethyl (2E,4E)-8-chloroocta-2,4-dienoate has a molecular weight of 202.68 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-8-chloroocta-2,4-dienoate is sourced from PubChem (CID 24973532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).