1-ethyl-3-(iodomethyl)cyclobutane

C7H13I — CID 89033986

IUPAC1-ethyl-3-(iodomethyl)cyclobutane
SMILESCCC1CC(CI)C1
InChIInChI=1S/C7H13I/c1-2-6-3-7(4-6)5-8/h6-7H,2-5H2,1H3
InChIKeyHKEMHAIXMSUYOD-UHFFFAOYSA-N
MW224.08 g/mol
LogP2.86
Rot. Bonds2

About 1-ethyl-3-(iodomethyl)cyclobutane

1-ethyl-3-(iodomethyl)cyclobutane (PubChem CID 89033986) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 1-ethyl-3-(iodomethyl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-3-(iodomethyl)cyclobutane
PubChem CID89033986
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name1-ethyl-3-(iodomethyl)cyclobutane
SMILESCCC1CC(CI)C1
InChIInChI=1S/C7H13I/c1-2-6-3-7(4-6)5-8/h6-7H,2-5H2,1H3
InChIKeyHKEMHAIXMSUYOD-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 52.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(iodomethyl)cyclobutane?
The IUPAC name of 1-ethyl-3-(iodomethyl)cyclobutane (CID 89033986) is 1-ethyl-3-(iodomethyl)cyclobutane.
What is the SMILES notation for 1-ethyl-3-(iodomethyl)cyclobutane?
The canonical SMILES for 1-ethyl-3-(iodomethyl)cyclobutane is CCC1CC(CI)C1.
What is the InChIKey of 1-ethyl-3-(iodomethyl)cyclobutane?
The InChIKey is HKEMHAIXMSUYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-2-6-3-7(4-6)5-8/h6-7H,2-5H2,1H3.
What are the key properties of 1-ethyl-3-(iodomethyl)cyclobutane?
1-ethyl-3-(iodomethyl)cyclobutane has a molecular weight of 224.08 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(iodomethyl)cyclobutane is sourced from PubChem (CID 89033986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).