2-iodoethenylcyclohexane

C8H13I — CID 71361827

IUPAC2-iodoethenylcyclohexane
SMILESIC=CC1CCCCC1
InChIInChI=1S/C8H13I/c9-7-6-8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyZXSSDGGNCWCSHX-UHFFFAOYSA-N
MW236.10 g/mol
LogP3.52
Rot. Bonds1

About 2-iodoethenylcyclohexane

2-iodoethenylcyclohexane (PubChem CID 71361827) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-iodoethenylcyclohexane.

Molecular Properties

Compound Name2-iodoethenylcyclohexane
PubChem CID71361827
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name2-iodoethenylcyclohexane
SMILESIC=CC1CCCCC1
InChIInChI=1S/C8H13I/c9-7-6-8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyZXSSDGGNCWCSHX-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodoethenylcyclohexane?
The IUPAC name of 2-iodoethenylcyclohexane (CID 71361827) is 2-iodoethenylcyclohexane.
What is the SMILES notation for 2-iodoethenylcyclohexane?
The canonical SMILES for 2-iodoethenylcyclohexane is IC=CC1CCCCC1.
What is the InChIKey of 2-iodoethenylcyclohexane?
The InChIKey is ZXSSDGGNCWCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I/c9-7-6-8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-iodoethenylcyclohexane?
2-iodoethenylcyclohexane has a molecular weight of 236.10 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethenylcyclohexane is sourced from PubChem (CID 71361827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).