[(E)-3-iodoprop-2-enylidene]cyclohexane

C9H13I — CID 11128640

IUPAC[(E)-3-iodoprop-2-enylidene]cyclohexane
SMILESI/C=C/C=C1CCCCC1
InChIInChI=1S/C9H13I/c10-8-4-7-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2/b8-4+
InChIKeyLXBJHMMQEGTUFJ-XBXARRHUSA-N
MW248.11 g/mol
LogP3.83
Rot. Bonds1

About [(E)-3-iodoprop-2-enylidene]cyclohexane

[(E)-3-iodoprop-2-enylidene]cyclohexane (PubChem CID 11128640) has the molecular formula C9H13I and a molecular weight of 248.11 g/mol. Its IUPAC name is [(E)-3-iodoprop-2-enylidene]cyclohexane.

Molecular Properties

Compound Name[(E)-3-iodoprop-2-enylidene]cyclohexane
PubChem CID11128640
Molecular FormulaC9H13I
Molecular Weight248.11 g/mol
Exact Mass248.01
IUPAC Name[(E)-3-iodoprop-2-enylidene]cyclohexane
SMILESI/C=C/C=C1CCCCC1
InChIInChI=1S/C9H13I/c10-8-4-7-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2/b8-4+
InChIKeyLXBJHMMQEGTUFJ-XBXARRHUSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.83
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

Allylidenecyclohexane
CID 138556
Cyclohexane, 2,4-cyclopentadien-1-ylidene-
CID 575532
1-[(E)-2-iodoethenyl]cyclohexene
CID 10879043
3,5-Dimethylidenecyclohex-1-ene
CID 13402708
1-Butyl-6-iodocyclohepta-1,3,5-triene
CID 12752699
1-Iodo-6-prop-2-enylcyclohepta-1,3,5-triene
CID 13382533
[(E)-but-2-enylidene]cyclohexane
CID 13734810
Allylcyclohexadiene
CID 17900788
1-Iodo-3-methylenecyclohex-1-ene
CID 21292189
Bicyclo[4.3.1]deca-1,3,5-triene
CID 85616298
Tetrahydro 6h benzo[7]annulene
CID 123330577
3-Propenylidenecyclohexene
CID 129735564

Frequently Asked Questions

What is the IUPAC name of [(E)-3-iodoprop-2-enylidene]cyclohexane?
The IUPAC name of [(E)-3-iodoprop-2-enylidene]cyclohexane (CID 11128640) is [(E)-3-iodoprop-2-enylidene]cyclohexane.
What is the SMILES notation for [(E)-3-iodoprop-2-enylidene]cyclohexane?
The canonical SMILES for [(E)-3-iodoprop-2-enylidene]cyclohexane is I/C=C/C=C1CCCCC1.
What is the InChIKey of [(E)-3-iodoprop-2-enylidene]cyclohexane?
The InChIKey is LXBJHMMQEGTUFJ-XBXARRHUSA-N. The full InChI is InChI=1S/C9H13I/c10-8-4-7-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2/b8-4+.
What are the key properties of [(E)-3-iodoprop-2-enylidene]cyclohexane?
[(E)-3-iodoprop-2-enylidene]cyclohexane has a molecular weight of 248.11 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-iodoprop-2-enylidene]cyclohexane is sourced from PubChem (CID 11128640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).