ethyl (E)-3-methoxyoct-4-enoate

C11H20O3 — CID 150793595

IUPACethyl (E)-3-methoxyoct-4-enoate
SMILESCCC/C=C/C(CC(=O)OCC)OC
InChIInChI=1S/C11H20O3/c1-4-6-7-8-10(13-3)9-11(12)14-5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
InChIKeyKEJCSKKYWLUGTJ-BQYQJAHWSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds7

About ethyl (E)-3-methoxyoct-4-enoate

ethyl (E)-3-methoxyoct-4-enoate (PubChem CID 150793595) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (E)-3-methoxyoct-4-enoate.

Molecular Properties

Compound Nameethyl (E)-3-methoxyoct-4-enoate
PubChem CID150793595
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl (E)-3-methoxyoct-4-enoate
SMILESCCC/C=C/C(CC(=O)OCC)OC
InChIInChI=1S/C11H20O3/c1-4-6-7-8-10(13-3)9-11(12)14-5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
InChIKeyKEJCSKKYWLUGTJ-BQYQJAHWSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-methoxydec-4-enoate
CID 139473477
ethyl (E,3S)-9-bromo-3-methoxynon-4-enoate
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CID 533698
ethyl 3-sulfanyldec-4-enoate
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ethyl 2-[bis(pent-1-enyl)amino]acetate
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ethyl (E)-2-(2,2-dichloroethenyl)hept-3-enoate
CID 102459005
(E)-1-methoxyhex-2-en-1-ol
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CID 119097783
CID 119097783
[(E,4S)-2-oxonon-5-en-4-yl] (2R)-2-amino-3-methylbutanoate
CID 160517729
ethyl (E)-3-propyltridec-4-enoate
CID 134916411
dimethyl 2-[(E)-hept-3-en-2-yl]propanedioate
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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-methoxyoct-4-enoate?
The IUPAC name of ethyl (E)-3-methoxyoct-4-enoate (CID 150793595) is ethyl (E)-3-methoxyoct-4-enoate.
What is the SMILES notation for ethyl (E)-3-methoxyoct-4-enoate?
The canonical SMILES for ethyl (E)-3-methoxyoct-4-enoate is CCC/C=C/C(CC(=O)OCC)OC.
What is the InChIKey of ethyl (E)-3-methoxyoct-4-enoate?
The InChIKey is KEJCSKKYWLUGTJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-6-7-8-10(13-3)9-11(12)14-5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of ethyl (E)-3-methoxyoct-4-enoate?
ethyl (E)-3-methoxyoct-4-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-methoxyoct-4-enoate is sourced from PubChem (CID 150793595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).