ethyl (E)-2-acetyloxydodec-2-enoate

C16H28O4 — CID 134918294

IUPACethyl (E)-2-acetyloxydodec-2-enoate
SMILESCCCCCCCCC/C=C(/OC(C)=O)C(=O)OCC
InChIInChI=1S/C16H28O4/c1-4-6-7-8-9-10-11-12-13-15(20-14(3)17)16(18)19-5-2/h13H,4-12H2,1-3H3/b15-13+
InChIKeyWFNQBJKBIJAFQB-FYWRMAATSA-N
MW284.40 g/mol
LogP4.14
Rot. Bonds11

About ethyl (E)-2-acetyloxydodec-2-enoate

ethyl (E)-2-acetyloxydodec-2-enoate (PubChem CID 134918294) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl (E)-2-acetyloxydodec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-acetyloxydodec-2-enoate
PubChem CID134918294
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Nameethyl (E)-2-acetyloxydodec-2-enoate
SMILESCCCCCCCCC/C=C(/OC(C)=O)C(=O)OCC
InChIInChI=1S/C16H28O4/c1-4-6-7-8-9-10-11-12-13-15(20-14(3)17)16(18)19-5-2/h13H,4-12H2,1-3H3/b15-13+
InChIKeyWFNQBJKBIJAFQB-FYWRMAATSA-N
XLogP4.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-2-acetyloxydodec-2-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

ethyl (Z)-2-acetyloxy-4-methylpent-2-enoate
CID 21632750
2-(trifluoromethoxy)ethyl (Z)-2-(trifluoromethoxy)non-2-enoate
CID 134931930
ethyl (E)-2-acetyloxy-4-methylpent-2-enoate
CID 10954570
ethyl (Z)-2-acetyloxyhept-2-enoate
CID 21632746
ethyl (E)-2-acetyloxyhept-2-enoate
CID 21632747
ethyl (E)-2-acetyloxynon-2-enoate
CID 21632749
ethyl (E)-2-(2,2-dimethylpropanoyloxy)hept-2-enoate
CID 21632756
Ethyl 2-acetyloxy-4-methylpent-2-enoate
CID 53868304
2-Acetoxy-2-hexadecenoic acid
CID 54256363
Methyl 2-(acetyloxy)hex-2-enoate
CID 57322991
Ethyl 2-(acetyloxy)-4-oxopent-2-enoate
CID 71406766
methyl (Z)-2-[(E)-hex-2-enoxy]but-2-enoate
CID 21580928

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-acetyloxydodec-2-enoate?
The IUPAC name of ethyl (E)-2-acetyloxydodec-2-enoate (CID 134918294) is ethyl (E)-2-acetyloxydodec-2-enoate.
What is the SMILES notation for ethyl (E)-2-acetyloxydodec-2-enoate?
The canonical SMILES for ethyl (E)-2-acetyloxydodec-2-enoate is CCCCCCCCC/C=C(/OC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-acetyloxydodec-2-enoate?
The InChIKey is WFNQBJKBIJAFQB-FYWRMAATSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-6-7-8-9-10-11-12-13-15(20-14(3)17)16(18)19-5-2/h13H,4-12H2,1-3H3/b15-13+.
What are the key properties of ethyl (E)-2-acetyloxydodec-2-enoate?
ethyl (E)-2-acetyloxydodec-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 4.14, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-acetyloxydodec-2-enoate is sourced from PubChem (CID 134918294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).