chloroethene;ethyl acetate

C6H11ClO2 — CID 19771492

IUPACchloroethene;ethyl acetate
SMILESC=CCl.CCOC(C)=O
InChIInChI=1S/C4H8O2.C2H3Cl/c1-3-6-4(2)5;1-2-3/h3H2,1-2H3;2H,1H2
InChIKeyAIMHCEKCICFCQL-UHFFFAOYSA-N
MW150.60 g/mol
LogP1.94
Rot. Bonds1

About chloroethene;ethyl acetate

chloroethene;ethyl acetate (PubChem CID 19771492) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is chloroethene;ethyl acetate.

Molecular Properties

Compound Namechloroethene;ethyl acetate
PubChem CID19771492
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Namechloroethene;ethyl acetate
SMILESC=CCl.CCOC(C)=O
InChIInChI=1S/C4H8O2.C2H3Cl/c1-3-6-4(2)5;1-2-3/h3H2,1-2H3;2H,1H2
InChIKeyAIMHCEKCICFCQL-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl acetate;prop-2-enoic acid
CID 87362107
nonadecakis(dichloromethane);ethyl acetate
CID 172996515
chlorosulfanium;ethyl acetate
CID 22238075
(dichloromethane);ethyl acetate
CID 173005314
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of chloroethene;ethyl acetate?
The IUPAC name of chloroethene;ethyl acetate (CID 19771492) is chloroethene;ethyl acetate.
What is the SMILES notation for chloroethene;ethyl acetate?
The canonical SMILES for chloroethene;ethyl acetate is C=CCl.CCOC(C)=O.
What is the InChIKey of chloroethene;ethyl acetate?
The InChIKey is AIMHCEKCICFCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H3Cl/c1-3-6-4(2)5;1-2-3/h3H2,1-2H3;2H,1H2.
What are the key properties of chloroethene;ethyl acetate?
chloroethene;ethyl acetate has a molecular weight of 150.60 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;ethyl acetate is sourced from PubChem (CID 19771492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).