ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate

C13H20O4 — CID 174874911

IUPACethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate
SMILESC=CCOC(=O)C(=C)C.C=COC(=O)CCC
InChIInChI=1S/C7H10O2.C6H10O2/c1-4-5-9-7(8)6(2)3;1-3-5-6(7)8-4-2/h4H,1-2,5H2,3H3;4H,2-3,5H2,1H3
InChIKeyLIWJRICGEXFYAV-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.76
Rot. Bonds6

About ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate

ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate (PubChem CID 174874911) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate
PubChem CID174874911
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Nameethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate
SMILESC=CCOC(=O)C(=C)C.C=COC(=O)CCC
InChIInChI=1S/C7H10O2.C6H10O2/c1-4-5-9-7(8)6(2)3;1-3-5-6(7)8-4-2/h4H,1-2,5H2,3H3;4H,2-3,5H2,1H3
InChIKeyLIWJRICGEXFYAV-UHFFFAOYSA-N
XLogP2.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.76
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

ethanol;ethenyl butanoate
CID 87410894
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
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CID 88839245
ethenyl butanoate;prop-2-enal
CID 174800304
butane-1,4-diol;ethenyl butanoate
CID 159135877
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
ethenyl acetate;ethyl butanoate
CID 174534174
2-methylprop-2-enoyl butanoate
CID 19018301
ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate
CID 173061128
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CID 174791645

Frequently Asked Questions

What is the IUPAC name of ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate (CID 174874911) is ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate is C=CCOC(=O)C(=C)C.C=COC(=O)CCC.
What is the InChIKey of ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is LIWJRICGEXFYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C6H10O2/c1-4-5-9-7(8)6(2)3;1-3-5-6(7)8-4-2/h4H,1-2,5H2,3H3;4H,2-3,5H2,1H3.
What are the key properties of ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate?
ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 174874911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).