[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane

C10H15Cl — CID 129322249

IUPAC[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane
SMILESCl/C=C/C=C\C1CCCCC1
InChIInChI=1S/C10H15Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2/b8-4-,9-5+
InChIKeyROPDSORKUGQLHS-MVTUOISNSA-N
MW170.68 g/mol
LogP3.88
Rot. Bonds2

About [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane

[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane (PubChem CID 129322249) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane.

Molecular Properties

Compound Name[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane
PubChem CID129322249
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane
SMILESCl/C=C/C=C\C1CCCCC1
InChIInChI=1S/C10H15Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2/b8-4-,9-5+
InChIKeyROPDSORKUGQLHS-MVTUOISNSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane?
The IUPAC name of [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane (CID 129322249) is [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane.
What is the SMILES notation for [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane?
The canonical SMILES for [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane is Cl/C=C/C=C\C1CCCCC1.
What is the InChIKey of [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane?
The InChIKey is ROPDSORKUGQLHS-MVTUOISNSA-N. The full InChI is InChI=1S/C10H15Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2/b8-4-,9-5+.
What are the key properties of [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane?
[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane has a molecular weight of 170.68 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane is sourced from PubChem (CID 129322249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).