ethyl (Z)-2-acetylhex-4-enoate

C10H16O3 — CID 54603270

IUPACethyl (Z)-2-acetylhex-4-enoate
SMILESC/C=C\CC(C(C)=O)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h4,6,9H,5,7H2,1-3H3/b6-4-
InChIKeyODKLJRKSCHDRIK-XQRVVYSFSA-N
MW184.23 g/mol
LogP1.72
Rot. Bonds5

About ethyl (Z)-2-acetylhex-4-enoate

ethyl (Z)-2-acetylhex-4-enoate (PubChem CID 54603270) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (Z)-2-acetylhex-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-acetylhex-4-enoate
PubChem CID54603270
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (Z)-2-acetylhex-4-enoate
SMILESC/C=C\CC(C(C)=O)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h4,6,9H,5,7H2,1-3H3/b6-4-
InChIKeyODKLJRKSCHDRIK-XQRVVYSFSA-N
XLogP1.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (Z)-2-acetylhex-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hex-3-enyl 2-ethylbutanoate
CID 6366381
Hexenyl acetoacetate, (3Z)-
CID 20836219
Ethyl 2-allylacetoacetate
CID 95448
1,1-Diethyl cyclopent-3-ene-1,1-dicarboxylate
CID 10987569
4-Pentenoic acid, 2-acetyl-, methyl ester
CID 107187
Ethyl 3-Cyclopentene-1-carboxylate
CID 5314991
Ethyl 1-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 274454
(Z)-5-Decenyl 3-methylbutanoate
CID 15693827
Isopropyl (e)-7-methyl-4-octenoate
CID 164576917
Ethyl (e)-7-methyl-4-nonenoate
CID 164576919
Isopropyl (e)-7-methyl-4-nonenoate
CID 164576926
Ethyl 2-acetyl-2-allylpent-4-ene-1-oate
CID 77045

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-acetylhex-4-enoate?
The IUPAC name of ethyl (Z)-2-acetylhex-4-enoate (CID 54603270) is ethyl (Z)-2-acetylhex-4-enoate.
What is the SMILES notation for ethyl (Z)-2-acetylhex-4-enoate?
The canonical SMILES for ethyl (Z)-2-acetylhex-4-enoate is C/C=C\CC(C(C)=O)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-acetylhex-4-enoate?
The InChIKey is ODKLJRKSCHDRIK-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h4,6,9H,5,7H2,1-3H3/b6-4-.
What are the key properties of ethyl (Z)-2-acetylhex-4-enoate?
ethyl (Z)-2-acetylhex-4-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-acetylhex-4-enoate is sourced from PubChem (CID 54603270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).