ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride

C10H15ClO4 — CID 88696275

IUPACethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride
SMILESC=CCOC(=O)C=C.C=COC(C)=O.Cl
InChIInChI=1S/C6H8O2.C4H6O2.ClH/c1-3-5-8-6(7)4-2;1-3-6-4(2)5;/h3-4H,1-2,5H2;3H,1H2,2H3;1H
InChIKeyYARWXUVWAMKMHP-UHFFFAOYSA-N
MW234.68 g/mol
LogP2.02
Rot. Bonds4

About ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride

ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride (PubChem CID 88696275) has the molecular formula C10H15ClO4 and a molecular weight of 234.68 g/mol. Its IUPAC name is ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride.

Molecular Properties

Compound Nameethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride
PubChem CID88696275
Molecular FormulaC10H15ClO4
Molecular Weight234.68 g/mol
Exact Mass234.07
IUPAC Nameethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride
SMILESC=CCOC(=O)C=C.C=COC(C)=O.Cl
InChIInChI=1S/C6H8O2.C4H6O2.ClH/c1-3-5-8-6(7)4-2;1-3-6-4(2)5;/h3-4H,1-2,5H2;3H,1H2,2H3;1H
InChIKeyYARWXUVWAMKMHP-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 52.02
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

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CID 173347288
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CID 157402000
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butyl prop-2-enoate;ethenyl acetate;2-hydroxyethyl prop-2-enoate
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CID 158693082

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride?
The IUPAC name of ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride (CID 88696275) is ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride.
What is the SMILES notation for ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride?
The canonical SMILES for ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride is C=CCOC(=O)C=C.C=COC(C)=O.Cl.
What is the InChIKey of ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride?
The InChIKey is YARWXUVWAMKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C4H6O2.ClH/c1-3-5-8-6(7)4-2;1-3-6-4(2)5;/h3-4H,1-2,5H2;3H,1H2,2H3;1H.
What are the key properties of ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride?
ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride has a molecular weight of 234.68 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride is sourced from PubChem (CID 88696275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).