chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate

C14H19ClO7 — CID 173332547

IUPACchloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate
SMILESC=CCl.C=CO.C=COC(=O)C=CC(=O)O.C=COC(C)=O
InChIInChI=1S/C6H6O4.C4H6O2.C2H3Cl.C2H4O/c1-2-10-6(9)4-3-5(7)8;1-3-6-4(2)5;2*1-2-3/h2-4H,1H2,(H,7,8);3H,1H2,2H3;2H,1H2;2-3H,1H2
InChIKeyAXMGYIDRUCGTSK-UHFFFAOYSA-N
MW334.75 g/mol
LogP3.06
Rot. Bonds4

About chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate

chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate (PubChem CID 173332547) has the molecular formula C14H19ClO7 and a molecular weight of 334.75 g/mol. Its IUPAC name is chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate.

Molecular Properties

Compound Namechloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate
PubChem CID173332547
Molecular FormulaC14H19ClO7
Molecular Weight334.75 g/mol
Exact Mass334.08
IUPAC Namechloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate
SMILESC=CCl.C=CO.C=COC(=O)C=CC(=O)O.C=COC(C)=O
InChIInChI=1S/C6H6O4.C4H6O2.C2H3Cl.C2H4O/c1-2-10-6(9)4-3-5(7)8;1-3-6-4(2)5;2*1-2-3/h2-4H,1H2,(H,7,8);3H,1H2,2H3;2H,1H2;2-3H,1H2
InChIKeyAXMGYIDRUCGTSK-UHFFFAOYSA-N
XLogP3.06
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
(Z)-but-2-enedioic acid;ethene;ethenyl acetate
CID 174897820
acetic acid;acetyl acetate;ethenyl acetate
CID 158501483
acetic acid;(Z)-but-2-enedioic acid;chloroethene
CID 174808620
ethanol;ethenyl acetate;(Z)-4-ethoxy-4-oxobut-2-enoic acid
CID 88688200
4-butoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 173368296
ethenyl acetate
CID 7904
4-decoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 162224725
ethenyl acetate;formic acid
CID 175608061
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
but-3-enoic acid;(Z)-4-ethenoxy-4-oxobut-2-enoic acid
CID 175246297
carbonofluoridic acid;ethenyl acetate
CID 157176220

Frequently Asked Questions

What is the IUPAC name of chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate?
The IUPAC name of chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate (CID 173332547) is chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate.
What is the SMILES notation for chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate?
The canonical SMILES for chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate is C=CCl.C=CO.C=COC(=O)C=CC(=O)O.C=COC(C)=O.
What is the InChIKey of chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate?
The InChIKey is AXMGYIDRUCGTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4.C4H6O2.C2H3Cl.C2H4O/c1-2-10-6(9)4-3-5(7)8;1-3-6-4(2)5;2*1-2-3/h2-4H,1H2,(H,7,8);3H,1H2,2H3;2H,1H2;2-3H,1H2.
What are the key properties of chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate?
chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate has a molecular weight of 334.75 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate is sourced from PubChem (CID 173332547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).