[(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane

C9H14BrI — CID 125475550

IUPAC[(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane
SMILESBr/C=C(\I)CC1CCCCC1
InChIInChI=1S/C9H14BrI/c10-7-9(11)6-8-4-2-1-3-5-8/h7-8H,1-6H2/b9-7-
InChIKeyOFLWDHSSVUBJPP-CLFYSBASSA-N
MW329.02 g/mol
LogP4.63
Rot. Bonds2

About [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane

[(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane (PubChem CID 125475550) has the molecular formula C9H14BrI and a molecular weight of 329.02 g/mol. Its IUPAC name is [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane
PubChem CID125475550
Molecular FormulaC9H14BrI
Molecular Weight329.02 g/mol
Exact Mass327.93
IUPAC Name[(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane
SMILESBr/C=C(\I)CC1CCCCC1
InChIInChI=1S/C9H14BrI/c10-7-9(11)6-8-4-2-1-3-5-8/h7-8H,1-6H2/b9-7-
InChIKeyOFLWDHSSVUBJPP-CLFYSBASSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.02
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene
CID 71493570
2-cyclodecylacetamide
CID 150110792
2-cyclohexylethanethioamide
CID 18755158
1-cyclohexadecylpropan-2-one
CID 175123721
3-cyclopentyl-2-oxopropanal
CID 154198194
[(E)-2-methylpent-2-enyl]cyclohexane
CID 143898911
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
3-cyclohexyl-2-oxopropanoic acid
CID 160850076
cyclotetradecylmethanol
CID 23468347
cyclopentanecarbaldehyde;cyclopentylmethanol
CID 161180132
[(E)-3-cyclohexylprop-1-enyl]boronic acid
CID 6031959

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane?
The IUPAC name of [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane (CID 125475550) is [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane.
What is the SMILES notation for [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane?
The canonical SMILES for [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane is Br/C=C(\I)CC1CCCCC1.
What is the InChIKey of [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane?
The InChIKey is OFLWDHSSVUBJPP-CLFYSBASSA-N. The full InChI is InChI=1S/C9H14BrI/c10-7-9(11)6-8-4-2-1-3-5-8/h7-8H,1-6H2/b9-7-.
What are the key properties of [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane?
[(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane has a molecular weight of 329.02 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-bromo-2-iodoprop-2-enyl]cyclohexane is sourced from PubChem (CID 125475550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).