3-(iodomethyl)-1,1-dimethylcyclobutane

C7H13I — CID 71565348

IUPAC3-(iodomethyl)-1,1-dimethylcyclobutane
SMILESCC1(C)CC(CI)C1
InChIInChI=1S/C7H13I/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKeyBOOVMEMADPXHFY-UHFFFAOYSA-N
MW224.08 g/mol
LogP2.86
Rot. Bonds1

About 3-(iodomethyl)-1,1-dimethylcyclobutane

3-(iodomethyl)-1,1-dimethylcyclobutane (PubChem CID 71565348) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 3-(iodomethyl)-1,1-dimethylcyclobutane.

Molecular Properties

Compound Name3-(iodomethyl)-1,1-dimethylcyclobutane
PubChem CID71565348
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name3-(iodomethyl)-1,1-dimethylcyclobutane
SMILESCC1(C)CC(CI)C1
InChIInChI=1S/C7H13I/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKeyBOOVMEMADPXHFY-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 3-(iodomethyl)-1,1-dimethylcyclobutane?
The IUPAC name of 3-(iodomethyl)-1,1-dimethylcyclobutane (CID 71565348) is 3-(iodomethyl)-1,1-dimethylcyclobutane.
What is the SMILES notation for 3-(iodomethyl)-1,1-dimethylcyclobutane?
The canonical SMILES for 3-(iodomethyl)-1,1-dimethylcyclobutane is CC1(C)CC(CI)C1.
What is the InChIKey of 3-(iodomethyl)-1,1-dimethylcyclobutane?
The InChIKey is BOOVMEMADPXHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 3-(iodomethyl)-1,1-dimethylcyclobutane?
3-(iodomethyl)-1,1-dimethylcyclobutane has a molecular weight of 224.08 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-1,1-dimethylcyclobutane is sourced from PubChem (CID 71565348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).