[(1E)-1-bromopenta-1,4-dienoxy]cyclohexane

C11H17BrO — CID 15438979

IUPAC[(1E)-1-bromopenta-1,4-dienoxy]cyclohexane
SMILESC=CC/C=C(/Br)OC1CCCCC1
InChIInChI=1S/C11H17BrO/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h2,9-10H,1,3-8H2/b11-9-
InChIKeyUOZZDWMOHWOKIT-LUAWRHEFSA-N
MW245.16 g/mol
LogP4.15
Rot. Bonds4

About [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane

[(1E)-1-bromopenta-1,4-dienoxy]cyclohexane (PubChem CID 15438979) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane.

Molecular Properties

Compound Name[(1E)-1-bromopenta-1,4-dienoxy]cyclohexane
PubChem CID15438979
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name[(1E)-1-bromopenta-1,4-dienoxy]cyclohexane
SMILESC=CC/C=C(/Br)OC1CCCCC1
InChIInChI=1S/C11H17BrO/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h2,9-10H,1,3-8H2/b11-9-
InChIKeyUOZZDWMOHWOKIT-LUAWRHEFSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane?
The IUPAC name of [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane (CID 15438979) is [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane.
What is the SMILES notation for [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane?
The canonical SMILES for [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane is C=CC/C=C(/Br)OC1CCCCC1.
What is the InChIKey of [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane?
The InChIKey is UOZZDWMOHWOKIT-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H17BrO/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h2,9-10H,1,3-8H2/b11-9-.
What are the key properties of [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane?
[(1E)-1-bromopenta-1,4-dienoxy]cyclohexane has a molecular weight of 245.16 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-bromopenta-1,4-dienoxy]cyclohexane is sourced from PubChem (CID 15438979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).