chloroethene;diethyl (Z)-but-2-enedioate

C10H15ClO4 — CID 158516467

IUPACchloroethene;diethyl (Z)-but-2-enedioate
SMILESC=CCl.CCOC(=O)/C=C\C(=O)OCC
InChIInChI=1S/C8H12O4.C2H3Cl/c1-3-11-7(9)5-6-8(10)12-4-2;1-2-3/h5-6H,3-4H2,1-2H3;2H,1H2/b6-5-;
InChIKeyHLRNWZLPRFTCIO-YSMBQZINSA-N
MW234.68 g/mol
LogP2.04
Rot. Bonds4

About chloroethene;diethyl (Z)-but-2-enedioate

chloroethene;diethyl (Z)-but-2-enedioate (PubChem CID 158516467) has the molecular formula C10H15ClO4 and a molecular weight of 234.68 g/mol. Its IUPAC name is chloroethene;diethyl (Z)-but-2-enedioate.

Molecular Properties

Compound Namechloroethene;diethyl (Z)-but-2-enedioate
PubChem CID158516467
Molecular FormulaC10H15ClO4
Molecular Weight234.68 g/mol
Exact Mass234.07
IUPAC Namechloroethene;diethyl (Z)-but-2-enedioate
SMILESC=CCl.CCOC(=O)/C=C\C(=O)OCC
InChIInChI=1S/C8H12O4.C2H3Cl/c1-3-11-7(9)5-6-8(10)12-4-2;1-2-3/h5-6H,3-4H2,1-2H3;2H,1H2/b6-5-;
InChIKeyHLRNWZLPRFTCIO-YSMBQZINSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroethene;diethyl (Z)-but-2-enedioate?
The IUPAC name of chloroethene;diethyl (Z)-but-2-enedioate (CID 158516467) is chloroethene;diethyl (Z)-but-2-enedioate.
What is the SMILES notation for chloroethene;diethyl (Z)-but-2-enedioate?
The canonical SMILES for chloroethene;diethyl (Z)-but-2-enedioate is C=CCl.CCOC(=O)/C=C\C(=O)OCC.
What is the InChIKey of chloroethene;diethyl (Z)-but-2-enedioate?
The InChIKey is HLRNWZLPRFTCIO-YSMBQZINSA-N. The full InChI is InChI=1S/C8H12O4.C2H3Cl/c1-3-11-7(9)5-6-8(10)12-4-2;1-2-3/h5-6H,3-4H2,1-2H3;2H,1H2/b6-5-;.
What are the key properties of chloroethene;diethyl (Z)-but-2-enedioate?
chloroethene;diethyl (Z)-but-2-enedioate has a molecular weight of 234.68 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;diethyl (Z)-but-2-enedioate is sourced from PubChem (CID 158516467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).