bis(ethenoxy)methylcyclohexane

C11H18O2 — CID 23284157

IUPACbis(ethenoxy)methylcyclohexane
SMILESC=COC(OC=C)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3-4,10-11H,1-2,5-9H2
InChIKeyVPSCWTDUSBRHFI-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.21
Rot. Bonds5

About bis(ethenoxy)methylcyclohexane

bis(ethenoxy)methylcyclohexane (PubChem CID 23284157) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is bis(ethenoxy)methylcyclohexane.

Molecular Properties

Compound Namebis(ethenoxy)methylcyclohexane
PubChem CID23284157
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namebis(ethenoxy)methylcyclohexane
SMILESC=COC(OC=C)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3-4,10-11H,1-2,5-9H2
InChIKeyVPSCWTDUSBRHFI-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze bis(ethenoxy)methylcyclohexane 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 bis(ethenoxy)methylcyclohexane?
The IUPAC name of bis(ethenoxy)methylcyclohexane (CID 23284157) is bis(ethenoxy)methylcyclohexane.
What is the SMILES notation for bis(ethenoxy)methylcyclohexane?
The canonical SMILES for bis(ethenoxy)methylcyclohexane is C=COC(OC=C)C1CCCCC1.
What is the InChIKey of bis(ethenoxy)methylcyclohexane?
The InChIKey is VPSCWTDUSBRHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3-4,10-11H,1-2,5-9H2.
What are the key properties of bis(ethenoxy)methylcyclohexane?
bis(ethenoxy)methylcyclohexane has a molecular weight of 182.26 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenoxy)methylcyclohexane is sourced from PubChem (CID 23284157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).