chloroethene;ethene;ethyl prop-2-enoate

C9H15ClO2 — CID 86733401

IUPACchloroethene;ethene;ethyl prop-2-enoate
SMILESC=C.C=CC(=O)OCC.C=CCl
InChIInChI=1S/C5H8O2.C2H3Cl.C2H4/c1-3-5(6)7-4-2;1-2-3;1-2/h3H,1,4H2,2H3;2H,1H2;1-2H2
InChIKeyWXGAXXXWOIHYOE-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.91
Rot. Bonds2

About chloroethene;ethene;ethyl prop-2-enoate

chloroethene;ethene;ethyl prop-2-enoate (PubChem CID 86733401) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is chloroethene;ethene;ethyl prop-2-enoate.

Molecular Properties

Compound Namechloroethene;ethene;ethyl prop-2-enoate
PubChem CID86733401
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Namechloroethene;ethene;ethyl prop-2-enoate
SMILESC=C.C=CC(=O)OCC.C=CCl
InChIInChI=1S/C5H8O2.C2H3Cl.C2H4/c1-3-5(6)7-4-2;1-2-3;1-2/h3H,1,4H2,2H3;2H,1H2;1-2H2
InChIKeyWXGAXXXWOIHYOE-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene;ethyl prop-2-enoate;urea
CID 22098038
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethyl prop-2-enoate;methylimino(oxo)methane
CID 160786021
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
CID 174581308
chloroethene;ethyl acetate
CID 19771492

Frequently Asked Questions

What is the IUPAC name of chloroethene;ethene;ethyl prop-2-enoate?
The IUPAC name of chloroethene;ethene;ethyl prop-2-enoate (CID 86733401) is chloroethene;ethene;ethyl prop-2-enoate.
What is the SMILES notation for chloroethene;ethene;ethyl prop-2-enoate?
The canonical SMILES for chloroethene;ethene;ethyl prop-2-enoate is C=C.C=CC(=O)OCC.C=CCl.
What is the InChIKey of chloroethene;ethene;ethyl prop-2-enoate?
The InChIKey is WXGAXXXWOIHYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H3Cl.C2H4/c1-3-5(6)7-4-2;1-2-3;1-2/h3H,1,4H2,2H3;2H,1H2;1-2H2.
What are the key properties of chloroethene;ethene;ethyl prop-2-enoate?
chloroethene;ethene;ethyl prop-2-enoate has a molecular weight of 190.67 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;ethene;ethyl prop-2-enoate is sourced from PubChem (CID 86733401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).