ethyl (Z)-4-ethoxybut-3-enoate

C8H14O3 — CID 102388772

IUPACethyl (Z)-4-ethoxybut-3-enoate
SMILESCCO/C=C\CC(=O)OCC
InChIInChI=1S/C8H14O3/c1-3-10-7-5-6-8(9)11-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-
InChIKeyMUAMICHRXROWIF-ALCCZGGFSA-N
MW158.20 g/mol
LogP1.49
Rot. Bonds5

About ethyl (Z)-4-ethoxybut-3-enoate

ethyl (Z)-4-ethoxybut-3-enoate (PubChem CID 102388772) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl (Z)-4-ethoxybut-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-ethoxybut-3-enoate
PubChem CID102388772
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl (Z)-4-ethoxybut-3-enoate
SMILESCCO/C=C\CC(=O)OCC
InChIInChI=1S/C8H14O3/c1-3-10-7-5-6-8(9)11-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-
InChIKeyMUAMICHRXROWIF-ALCCZGGFSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-ethoxybut-3-enoate?
The IUPAC name of ethyl (Z)-4-ethoxybut-3-enoate (CID 102388772) is ethyl (Z)-4-ethoxybut-3-enoate.
What is the SMILES notation for ethyl (Z)-4-ethoxybut-3-enoate?
The canonical SMILES for ethyl (Z)-4-ethoxybut-3-enoate is CCO/C=C\CC(=O)OCC.
What is the InChIKey of ethyl (Z)-4-ethoxybut-3-enoate?
The InChIKey is MUAMICHRXROWIF-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-7-5-6-8(9)11-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-.
What are the key properties of ethyl (Z)-4-ethoxybut-3-enoate?
ethyl (Z)-4-ethoxybut-3-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-ethoxybut-3-enoate is sourced from PubChem (CID 102388772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).