4-iodobut-2-enylcyclobutane

C8H13I — CID 72646818

IUPAC4-iodobut-2-enylcyclobutane
SMILESICC=CCC1CCC1
InChIInChI=1S/C8H13I/c9-7-2-1-4-8-5-3-6-8/h1-2,8H,3-7H2
InChIKeySXRUSHADHCOYSO-UHFFFAOYSA-N
MW236.10 g/mol
LogP3.17
Rot. Bonds3

About 4-iodobut-2-enylcyclobutane

4-iodobut-2-enylcyclobutane (PubChem CID 72646818) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is 4-iodobut-2-enylcyclobutane.

Molecular Properties

Compound Name4-iodobut-2-enylcyclobutane
PubChem CID72646818
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name4-iodobut-2-enylcyclobutane
SMILESICC=CCC1CCC1
InChIInChI=1S/C8H13I/c9-7-2-1-4-8-5-3-6-8/h1-2,8H,3-7H2
InChIKeySXRUSHADHCOYSO-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodobut-2-enylcyclobutane?
The IUPAC name of 4-iodobut-2-enylcyclobutane (CID 72646818) is 4-iodobut-2-enylcyclobutane.
What is the SMILES notation for 4-iodobut-2-enylcyclobutane?
The canonical SMILES for 4-iodobut-2-enylcyclobutane is ICC=CCC1CCC1.
What is the InChIKey of 4-iodobut-2-enylcyclobutane?
The InChIKey is SXRUSHADHCOYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I/c9-7-2-1-4-8-5-3-6-8/h1-2,8H,3-7H2.
What are the key properties of 4-iodobut-2-enylcyclobutane?
4-iodobut-2-enylcyclobutane has a molecular weight of 236.10 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobut-2-enylcyclobutane is sourced from PubChem (CID 72646818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).