(E)-oct-4-enedioyl dichloride

C8H10Cl2O2 — CID 59029064

IUPAC(E)-oct-4-enedioyl dichloride
SMILESO=C(Cl)CC/C=C/CCC(=O)Cl
InChIInChI=1S/C8H10Cl2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h1-2H,3-6H2/b2-1+
InChIKeyDAUYJKPALFCOPR-OWOJBTEDSA-N
MW209.07 g/mol
LogP2.63
Rot. Bonds6

About (E)-oct-4-enedioyl dichloride

(E)-oct-4-enedioyl dichloride (PubChem CID 59029064) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is (E)-oct-4-enedioyl dichloride.

Molecular Properties

Compound Name(E)-oct-4-enedioyl dichloride
PubChem CID59029064
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Name(E)-oct-4-enedioyl dichloride
SMILESO=C(Cl)CC/C=C/CCC(=O)Cl
InChIInChI=1S/C8H10Cl2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h1-2H,3-6H2/b2-1+
InChIKeyDAUYJKPALFCOPR-OWOJBTEDSA-N
XLogP2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-Hex-3-enedioyl dichloride
CID 11116663
4-Decenoyl chloride
CID 15920950
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl chloride
CID 46928339
Crotyl acetylchloride
CID 54191606
(z)-5-Decenoyl chloride
CID 129776010
(E)-6-methylhept-4-enoyl Chloride
CID 6442814
(E,3R)-3-methylhept-4-enoyl chloride
CID 10855777
(Z)-hept-4-enoyl chloride
CID 11309587
(E)-hex-4-enoyl chloride
CID 13571225
4,7,10,13,16,19-Docosahexaenoyl chloride
CID 13647829
(4E,7E,10E,13E,16E)-icosa-4,7,10,13,16,19-hexaenoyl chloride
CID 19759922
(E)-3-methylhept-4-enoyl chloride
CID 19936104

Frequently Asked Questions

What is the IUPAC name of (E)-oct-4-enedioyl dichloride?
The IUPAC name of (E)-oct-4-enedioyl dichloride (CID 59029064) is (E)-oct-4-enedioyl dichloride.
What is the SMILES notation for (E)-oct-4-enedioyl dichloride?
The canonical SMILES for (E)-oct-4-enedioyl dichloride is O=C(Cl)CC/C=C/CCC(=O)Cl.
What is the InChIKey of (E)-oct-4-enedioyl dichloride?
The InChIKey is DAUYJKPALFCOPR-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h1-2H,3-6H2/b2-1+.
What are the key properties of (E)-oct-4-enedioyl dichloride?
(E)-oct-4-enedioyl dichloride has a molecular weight of 209.07 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-4-enedioyl dichloride is sourced from PubChem (CID 59029064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).