2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane

C12H19IO2 — CID 70377560

IUPAC2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane
SMILESICC=CC1(OC2CCCCO2)CCC1
InChIInChI=1S/C12H19IO2/c13-9-4-8-12(6-3-7-12)15-11-5-1-2-10-14-11/h4,8,11H,1-3,5-7,9-10H2
InChIKeyLOERKTVXWBVRGJ-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.44
Rot. Bonds4

About 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane

2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane (PubChem CID 70377560) has the molecular formula C12H19IO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane.

Molecular Properties

Compound Name2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane
PubChem CID70377560
Molecular FormulaC12H19IO2
Molecular Weight322.19 g/mol
Exact Mass322.04
IUPAC Name2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane
SMILESICC=CC1(OC2CCCCO2)CCC1
InChIInChI=1S/C12H19IO2/c13-9-4-8-12(6-3-7-12)15-11-5-1-2-10-14-11/h4,8,11H,1-3,5-7,9-10H2
InChIKeyLOERKTVXWBVRGJ-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane?
The IUPAC name of 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane (CID 70377560) is 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane.
What is the SMILES notation for 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane?
The canonical SMILES for 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane is ICC=CC1(OC2CCCCO2)CCC1.
What is the InChIKey of 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane?
The InChIKey is LOERKTVXWBVRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IO2/c13-9-4-8-12(6-3-7-12)15-11-5-1-2-10-14-11/h4,8,11H,1-3,5-7,9-10H2.
What are the key properties of 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane?
2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane has a molecular weight of 322.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane is sourced from PubChem (CID 70377560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).