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

C14H23IO2 — CID 70377573

IUPAC2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane
SMILESCCC1CC(C=CCI)(OC2CCCCO2)C1
InChIInChI=1S/C14H23IO2/c1-2-12-10-14(11-12,7-5-8-15)17-13-6-3-4-9-16-13/h5,7,12-13H,2-4,6,8-11H2,1H3
InChIKeySWVXEGTXEZFUKJ-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.08
Rot. Bonds5

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

2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane (PubChem CID 70377573) has the molecular formula C14H23IO2 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane.

Molecular Properties

Compound Name2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane
PubChem CID70377573
Molecular FormulaC14H23IO2
Molecular Weight350.24 g/mol
Exact Mass350.07
IUPAC Name2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane
SMILESCCC1CC(C=CCI)(OC2CCCCO2)C1
InChIInChI=1S/C14H23IO2/c1-2-12-10-14(11-12,7-5-8-15)17-13-6-3-4-9-16-13/h5,7,12-13H,2-4,6,8-11H2,1H3
InChIKeySWVXEGTXEZFUKJ-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane?
The IUPAC name of 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane (CID 70377573) is 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane.
What is the SMILES notation for 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane?
The canonical SMILES for 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane is CCC1CC(C=CCI)(OC2CCCCO2)C1.
What is the InChIKey of 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane?
The InChIKey is SWVXEGTXEZFUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IO2/c1-2-12-10-14(11-12,7-5-8-15)17-13-6-3-4-9-16-13/h5,7,12-13H,2-4,6,8-11H2,1H3.
What are the key properties of 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane?
2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane has a molecular weight of 350.24 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-(3-iodoprop-1-enyl)cyclobutyl]oxyoxane is sourced from PubChem (CID 70377573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).