1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate

C16H26Cl2O4 — CID 91694519

IUPAC1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCC(=O)OCC(Cl)Cl
InChIInChI=1S/C16H26Cl2O4/c1-2-3-4-5-6-7-8-9-12-21-15(19)10-11-16(20)22-13-14(17)18/h6-7,14H,2-5,8-13H2,1H3/b7-6+
InChIKeyOWWFYFLISFJSOA-VOTSOKGWSA-N
MW353.29 g/mol
LogP4.57
Rot. Bonds13

About 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate

1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate (PubChem CID 91694519) has the molecular formula C16H26Cl2O4 and a molecular weight of 353.29 g/mol. Its IUPAC name is 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate.

Molecular Properties

Compound Name1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate
PubChem CID91694519
Molecular FormulaC16H26Cl2O4
Molecular Weight353.29 g/mol
Exact Mass352.12
IUPAC Name1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCC(=O)OCC(Cl)Cl
InChIInChI=1S/C16H26Cl2O4/c1-2-3-4-5-6-7-8-9-12-21-15(19)10-11-16(20)22-13-14(17)18/h6-7,14H,2-5,8-13H2,1H3/b7-6+
InChIKeyOWWFYFLISFJSOA-VOTSOKGWSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate with MolForge

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Related Compounds

Succinic acid, dec-4-enyl ethyl ester
CID 91694546
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, 2,2-dichloroethyl non-3-en-1-yl ester
CID 91701495
Succinic acid, 2,2-dichloroethyl hex-5-en-1-yl ester
CID 91701496
Succinic acid, 2,2-dichloroethyl pent-4-en-1-yl ester
CID 91701749
Succinic acid, dec-4-enyl propyl ester
CID 91701750
Succinic acid, 2,2-dichloroethyl cis-pent-2-en-1-yl ester
CID 91701785
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

Frequently Asked Questions

What is the IUPAC name of 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate?
The IUPAC name of 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate (CID 91694519) is 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate.
What is the SMILES notation for 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate?
The canonical SMILES for 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate is CCCCC/C=C/CCCOC(=O)CCC(=O)OCC(Cl)Cl.
What is the InChIKey of 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate?
The InChIKey is OWWFYFLISFJSOA-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H26Cl2O4/c1-2-3-4-5-6-7-8-9-12-21-15(19)10-11-16(20)22-13-14(17)18/h6-7,14H,2-5,8-13H2,1H3/b7-6+.
What are the key properties of 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate?
1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate has a molecular weight of 353.29 g/mol, XLogP of 4.57, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[(E)-dec-4-enyl] 4-O-(2,2-dichloroethyl) butanedioate is sourced from PubChem (CID 91694519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).