[(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane

C13H23BrO — CID 134893814

IUPAC[(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane
SMILESCC(C)CC/C=C(/Br)OC1CCCCC1
InChIInChI=1S/C13H23BrO/c1-11(2)7-6-10-13(14)15-12-8-4-3-5-9-12/h10-12H,3-9H2,1-2H3/b13-10-
InChIKeyMLFPSPSHSPCYFH-RAXLEYEMSA-N
MW275.23 g/mol
LogP5.01
Rot. Bonds5

About [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane

[(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane (PubChem CID 134893814) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane.

Molecular Properties

Compound Name[(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane
PubChem CID134893814
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name[(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane
SMILESCC(C)CC/C=C(/Br)OC1CCCCC1
InChIInChI=1S/C13H23BrO/c1-11(2)7-6-10-13(14)15-12-8-4-3-5-9-12/h10-12H,3-9H2,1-2H3/b13-10-
InChIKeyMLFPSPSHSPCYFH-RAXLEYEMSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.23
LogP ≤ 55.01
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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Related Compounds

[(E)-1-bromo-4-methylpent-1-enoxy]cyclohexane
CID 11334478
[(E)-1-bromobut-1-enoxy]cyclohexane
CID 15530586
(1-Bromo-4-methylpent-1-enoxy)cyclohexane
CID 72805784
[(Z)-1-bromo-4-methylpent-1-enoxy]cyclohexane
CID 20736436
4-Methylpent-1-enoxycyclohexane
CID 20736459
CID 101181302
CID 101181302
CID 101181303
CID 101181303
[(Z)-1-bromobut-1-enoxy]cyclohexane
CID 101352037

Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane?
The IUPAC name of [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane (CID 134893814) is [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane.
What is the SMILES notation for [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane?
The canonical SMILES for [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane is CC(C)CC/C=C(/Br)OC1CCCCC1.
What is the InChIKey of [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane?
The InChIKey is MLFPSPSHSPCYFH-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H23BrO/c1-11(2)7-6-10-13(14)15-12-8-4-3-5-9-12/h10-12H,3-9H2,1-2H3/b13-10-.
What are the key properties of [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane?
[(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane has a molecular weight of 275.23 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane is sourced from PubChem (CID 134893814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).