(E)-2-cyclohexylbut-2-enedioyl dichloride

C10H12Cl2O2 — CID 139753219

IUPAC(E)-2-cyclohexylbut-2-enedioyl dichloride
SMILESO=C(Cl)/C=C(/C(=O)Cl)C1CCCCC1
InChIInChI=1S/C10H12Cl2O2/c11-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h6-7H,1-5H2/b8-6+
InChIKeyWATPZPPOIKGAJS-SOFGYWHQSA-N
MW235.11 g/mol
LogP3.02
Rot. Bonds3

About (E)-2-cyclohexylbut-2-enedioyl dichloride

(E)-2-cyclohexylbut-2-enedioyl dichloride (PubChem CID 139753219) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is (E)-2-cyclohexylbut-2-enedioyl dichloride.

Molecular Properties

Compound Name(E)-2-cyclohexylbut-2-enedioyl dichloride
PubChem CID139753219
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name(E)-2-cyclohexylbut-2-enedioyl dichloride
SMILESO=C(Cl)/C=C(/C(=O)Cl)C1CCCCC1
InChIInChI=1S/C10H12Cl2O2/c11-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h6-7H,1-5H2/b8-6+
InChIKeyWATPZPPOIKGAJS-SOFGYWHQSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylbut-2-enediamide
CID 151583610
acetyl chloride;cycloheptane;cycloheptanecarboxylic acid
CID 157332858
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
methyl 3-cyano-2-cyclohexylprop-2-enoate
CID 69231273
chloromethane;cyclohexanecarboxylic acid
CID 160928112
2-cyclohexylpent-2-enoic acid
CID 67108594
(Z)-1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;zirconium
CID 171762262
cyclohexyl(triethylsilyl)methanone
CID 15093454
(E)-3-cyclohexylbut-2-enoic acid
CID 6537440
2,2-dichloro-1-cycloheptylethanone
CID 45081064

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexylbut-2-enedioyl dichloride?
The IUPAC name of (E)-2-cyclohexylbut-2-enedioyl dichloride (CID 139753219) is (E)-2-cyclohexylbut-2-enedioyl dichloride.
What is the SMILES notation for (E)-2-cyclohexylbut-2-enedioyl dichloride?
The canonical SMILES for (E)-2-cyclohexylbut-2-enedioyl dichloride is O=C(Cl)/C=C(/C(=O)Cl)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexylbut-2-enedioyl dichloride?
The InChIKey is WATPZPPOIKGAJS-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c11-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h6-7H,1-5H2/b8-6+.
What are the key properties of (E)-2-cyclohexylbut-2-enedioyl dichloride?
(E)-2-cyclohexylbut-2-enedioyl dichloride has a molecular weight of 235.11 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexylbut-2-enedioyl dichloride is sourced from PubChem (CID 139753219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).