4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate

C11H16Cl2O4 — CID 91701785

IUPAC4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate
SMILESCC/C=C\COC(=O)CCC(=O)OCC(Cl)Cl
InChIInChI=1S/C11H16Cl2O4/c1-2-3-4-7-16-10(14)5-6-11(15)17-8-9(12)13/h3-4,9H,2,5-8H2,1H3/b4-3-
InChIKeyQXQJLQCGBUJFGT-ARJAWSKDSA-N
MW283.15 g/mol
LogP2.62
Rot. Bonds8

About 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate

4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate (PubChem CID 91701785) has the molecular formula C11H16Cl2O4 and a molecular weight of 283.15 g/mol. Its IUPAC name is 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate.

Molecular Properties

Compound Name4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate
PubChem CID91701785
Molecular FormulaC11H16Cl2O4
Molecular Weight283.15 g/mol
Exact Mass282.04
IUPAC Name4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate
SMILESCC/C=C\COC(=O)CCC(=O)OCC(Cl)Cl
InChIInChI=1S/C11H16Cl2O4/c1-2-3-4-7-16-10(14)5-6-11(15)17-8-9(12)13/h3-4,9H,2,5-8H2,1H3/b4-3-
InChIKeyQXQJLQCGBUJFGT-ARJAWSKDSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Succinic acid, 2,2-dichloroethyl dec-4-en-1-yl ester
CID 91694519
Succinic acid, 2,2-dichloroethyl neryl ester
CID 91694961
Succinic acid, 2,2-dichloroethyl geranyl ester
CID 91695030
Succinic acid, 2,2-dichloroethyl trans-hex-3-en-1-yl ester
CID 91697842
Succinic acid, 2,2-dichloroethyl cis-hex-3-en-1-yl ester
CID 91697927
Succinic acid, di(cis-pent-2-en-1-yl) ester
CID 91698628
Succinic acid, 2,2-dichloroethyl non-3-en-1-yl ester
CID 91701495
Succinic acid, 2,2-dichloroethyl but-2-en-1-yl ester
CID 91701504
Succinic acid, 2,2-dichloroethyl cis-hex-2-en-1-yl ester
CID 91701904
Succinic acid, dodec-2-en-1-yl 2,2,2-trichloroethyl ester
CID 91702814
ethyl (Z)-6-[2-(2-chloroethoxy)ethoxy]hex-4-enoate
CID 50901479
ethyl (E)-6-[2-(2-chloroethoxy)ethoxy]hex-4-enoate
CID 102263031

Frequently Asked Questions

What is the IUPAC name of 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The IUPAC name of 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate (CID 91701785) is 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate.
What is the SMILES notation for 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The canonical SMILES for 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate is CC/C=C\COC(=O)CCC(=O)OCC(Cl)Cl.
What is the InChIKey of 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The InChIKey is QXQJLQCGBUJFGT-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H16Cl2O4/c1-2-3-4-7-16-10(14)5-6-11(15)17-8-9(12)13/h3-4,9H,2,5-8H2,1H3/b4-3-.
What are the key properties of 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate?
4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate has a molecular weight of 283.15 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2,2-dichloroethyl) 1-O-[(Z)-pent-2-enyl] butanedioate is sourced from PubChem (CID 91701785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).