[(E)-1-bromobut-1-enoxy]cyclohexane

C10H17BrO — CID 15530586

IUPAC[(E)-1-bromobut-1-enoxy]cyclohexane
SMILESCC/C=C(/Br)OC1CCCCC1
InChIInChI=1S/C10H17BrO/c1-2-6-10(11)12-9-7-4-3-5-8-9/h6,9H,2-5,7-8H2,1H3/b10-6-
InChIKeyIXKMFTUGQVQLQH-POHAHGRESA-N
MW233.15 g/mol
LogP3.98
Rot. Bonds3

About [(E)-1-bromobut-1-enoxy]cyclohexane

[(E)-1-bromobut-1-enoxy]cyclohexane (PubChem CID 15530586) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is [(E)-1-bromobut-1-enoxy]cyclohexane.

Molecular Properties

Compound Name[(E)-1-bromobut-1-enoxy]cyclohexane
PubChem CID15530586
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name[(E)-1-bromobut-1-enoxy]cyclohexane
SMILESCC/C=C(/Br)OC1CCCCC1
InChIInChI=1S/C10H17BrO/c1-2-6-10(11)12-9-7-4-3-5-8-9/h6,9H,2-5,7-8H2,1H3/b10-6-
InChIKeyIXKMFTUGQVQLQH-POHAHGRESA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromobut-1-enoxy]cyclohexane?
The IUPAC name of [(E)-1-bromobut-1-enoxy]cyclohexane (CID 15530586) is [(E)-1-bromobut-1-enoxy]cyclohexane.
What is the SMILES notation for [(E)-1-bromobut-1-enoxy]cyclohexane?
The canonical SMILES for [(E)-1-bromobut-1-enoxy]cyclohexane is CC/C=C(/Br)OC1CCCCC1.
What is the InChIKey of [(E)-1-bromobut-1-enoxy]cyclohexane?
The InChIKey is IXKMFTUGQVQLQH-POHAHGRESA-N. The full InChI is InChI=1S/C10H17BrO/c1-2-6-10(11)12-9-7-4-3-5-8-9/h6,9H,2-5,7-8H2,1H3/b10-6-.
What are the key properties of [(E)-1-bromobut-1-enoxy]cyclohexane?
[(E)-1-bromobut-1-enoxy]cyclohexane has a molecular weight of 233.15 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromobut-1-enoxy]cyclohexane is sourced from PubChem (CID 15530586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).