2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane

C14H23ClO2 — CID 23339597

IUPAC2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane
SMILESClC/C=C/C1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C14H23ClO2/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/b10-6+
InChIKeyVSGDPHRETKUHBY-UXBLZVDNSA-N
MW258.79 g/mol
LogP4.03
Rot. Bonds4

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

2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane (PubChem CID 23339597) has the molecular formula C14H23ClO2 and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane.

Molecular Properties

Compound Name2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane
PubChem CID23339597
Molecular FormulaC14H23ClO2
Molecular Weight258.79 g/mol
Exact Mass258.14
IUPAC Name2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane
SMILESClC/C=C/C1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C14H23ClO2/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/b10-6+
InChIKeyVSGDPHRETKUHBY-UXBLZVDNSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-[(E)-3-chloroprop-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-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane?
The IUPAC name of 2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane (CID 23339597) is 2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane.
What is the SMILES notation for 2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane?
The canonical SMILES for 2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane is ClC/C=C/C1(OC2CCCCO2)CCCCC1.
What is the InChIKey of 2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane?
The InChIKey is VSGDPHRETKUHBY-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H23ClO2/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/b10-6+.
What are the key properties of 2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane?
2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane has a molecular weight of 258.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-chloroprop-1-enyl]cyclohexyl]oxyoxane is sourced from PubChem (CID 23339597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).