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

C14H23IO2 — CID 70377541

IUPAC2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane
SMILESICC=CC1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C14H23IO2/c15-11-6-10-14(8-3-1-4-9-14)17-13-7-2-5-12-16-13/h6,10,13H,1-5,7-9,11-12H2
InChIKeyFTOJVEGPYUHUIH-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.22
Rot. Bonds4

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

2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane (PubChem CID 70377541) has the molecular formula C14H23IO2 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane.

Molecular Properties

Compound Name2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane
PubChem CID70377541
Molecular FormulaC14H23IO2
Molecular Weight350.24 g/mol
Exact Mass350.07
IUPAC Name2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane
SMILESICC=CC1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C14H23IO2/c15-11-6-10-14(8-3-1-4-9-14)17-13-7-2-5-12-16-13/h6,10,13H,1-5,7-9,11-12H2
InChIKeyFTOJVEGPYUHUIH-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.22
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)cyclohexyl]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)cyclohexyl]oxyoxane?
The IUPAC name of 2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane (CID 70377541) is 2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane.
What is the SMILES notation for 2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane?
The canonical SMILES for 2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane is ICC=CC1(OC2CCCCO2)CCCCC1.
What is the InChIKey of 2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane?
The InChIKey is FTOJVEGPYUHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IO2/c15-11-6-10-14(8-3-1-4-9-14)17-13-7-2-5-12-16-13/h6,10,13H,1-5,7-9,11-12H2.
What are the key properties of 2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane?
2-[1-(3-iodoprop-1-enyl)cyclohexyl]oxyoxane has a molecular weight of 350.24 g/mol, XLogP of 4.22, 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)cyclohexyl]oxyoxane is sourced from PubChem (CID 70377541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).