ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate

C10H14O4 — CID 24973261

IUPACethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate
SMILESC=CC/C(=C\OC(C)=O)C(=O)OCC
InChIInChI=1S/C10H14O4/c1-4-6-9(7-14-8(3)11)10(12)13-5-2/h4,7H,1,5-6H2,2-3H3/b9-7+
InChIKeyRSPNHSILTSNKDR-VQHVLOKHSA-N
MW198.22 g/mol
LogP1.57
Rot. Bonds5

About ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate

ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate (PubChem CID 24973261) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate.

Molecular Properties

Compound Nameethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate
PubChem CID24973261
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate
SMILESC=CC/C(=C\OC(C)=O)C(=O)OCC
InChIInChI=1S/C10H14O4/c1-4-6-9(7-14-8(3)11)10(12)13-5-2/h4,7H,1,5-6H2,2-3H3/b9-7+
InChIKeyRSPNHSILTSNKDR-VQHVLOKHSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-allyl acrylate
CID 331669
Butanoic acid, 2-methylene-, 2-methyl-2-propen-1-yl ester
CID 105647
Butyl prop-2-enoate;ethenyl acetate;methyl 2-methylprop-2-enoate
CID 169133
Ethyl 2-methylene-4-pentenoate
CID 11829534
Ethyl 2-methylidenehex-5-enoate
CID 10855685
Ethyl 2-ethenylidenepent-4-enoate
CID 11954602
Ethyl vinyl acrylate
CID 17827951
Butyl 2-methylidenepent-4-enoate
CID 20187280
Butyl 2-methylprop-2-enoate;2-methylbuta-1,3-diene
CID 87374443
Ethyl 4h-pyran-3-carboxylate
CID 91037175
Methylenepyrone
CID 129715351
Ethyl 3-fluoro-2-methylidenepent-4-enoate
CID 88704340

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate?
The IUPAC name of ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate (CID 24973261) is ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate.
What is the SMILES notation for ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate?
The canonical SMILES for ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate is C=CC/C(=C\OC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate?
The InChIKey is RSPNHSILTSNKDR-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-6-9(7-14-8(3)11)10(12)13-5-2/h4,7H,1,5-6H2,2-3H3/b9-7+.
What are the key properties of ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate?
ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(acetyloxymethylidene)pent-4-enoate is sourced from PubChem (CID 24973261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).