ethyl (E,3S)-3-methoxydec-4-enoate

C13H24O3 — CID 138963669

IUPACethyl (E,3S)-3-methoxydec-4-enoate
SMILESCCCCC/C=C/[C@H](CC(=O)OCC)OC
InChIInChI=1S/C13H24O3/c1-4-6-7-8-9-10-12(15-3)11-13(14)16-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+/t12-/m1/s1
InChIKeyZUXFCUHNKROAIJ-BZYZDCJZSA-N
MW228.33 g/mol
LogP3.09
Rot. Bonds9

About ethyl (E,3S)-3-methoxydec-4-enoate

ethyl (E,3S)-3-methoxydec-4-enoate (PubChem CID 138963669) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl (E,3S)-3-methoxydec-4-enoate.

Molecular Properties

Compound Nameethyl (E,3S)-3-methoxydec-4-enoate
PubChem CID138963669
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl (E,3S)-3-methoxydec-4-enoate
SMILESCCCCC/C=C/[C@H](CC(=O)OCC)OC
InChIInChI=1S/C13H24O3/c1-4-6-7-8-9-10-12(15-3)11-13(14)16-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+/t12-/m1/s1
InChIKeyZUXFCUHNKROAIJ-BZYZDCJZSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E,3S)-3-methoxydec-4-enoate?
The IUPAC name of ethyl (E,3S)-3-methoxydec-4-enoate (CID 138963669) is ethyl (E,3S)-3-methoxydec-4-enoate.
What is the SMILES notation for ethyl (E,3S)-3-methoxydec-4-enoate?
The canonical SMILES for ethyl (E,3S)-3-methoxydec-4-enoate is CCCCC/C=C/[C@H](CC(=O)OCC)OC.
What is the InChIKey of ethyl (E,3S)-3-methoxydec-4-enoate?
The InChIKey is ZUXFCUHNKROAIJ-BZYZDCJZSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-6-7-8-9-10-12(15-3)11-13(14)16-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+/t12-/m1/s1.
What are the key properties of ethyl (E,3S)-3-methoxydec-4-enoate?
ethyl (E,3S)-3-methoxydec-4-enoate has a molecular weight of 228.33 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,3S)-3-methoxydec-4-enoate is sourced from PubChem (CID 138963669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).