3,6-bis(ethenoxymethyl)cyclohexene

C12H18O2 — CID 122650698

IUPAC3,6-bis(ethenoxymethyl)cyclohexene
SMILESC=COCC1C=CC(COC=C)CC1
InChIInChI=1S/C12H18O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-5,7,11-12H,1-2,6,8-10H2
InChIKeyGDWPEXIOIUFDTK-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.89
Rot. Bonds6

About 3,6-bis(ethenoxymethyl)cyclohexene

3,6-bis(ethenoxymethyl)cyclohexene (PubChem CID 122650698) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3,6-bis(ethenoxymethyl)cyclohexene.

Molecular Properties

Compound Name3,6-bis(ethenoxymethyl)cyclohexene
PubChem CID122650698
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3,6-bis(ethenoxymethyl)cyclohexene
SMILESC=COCC1C=CC(COC=C)CC1
InChIInChI=1S/C12H18O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-5,7,11-12H,1-2,6,8-10H2
InChIKeyGDWPEXIOIUFDTK-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-bis(ethenoxymethyl)cyclohexene 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 3,6-bis(ethenoxymethyl)cyclohexene?
The IUPAC name of 3,6-bis(ethenoxymethyl)cyclohexene (CID 122650698) is 3,6-bis(ethenoxymethyl)cyclohexene.
What is the SMILES notation for 3,6-bis(ethenoxymethyl)cyclohexene?
The canonical SMILES for 3,6-bis(ethenoxymethyl)cyclohexene is C=COCC1C=CC(COC=C)CC1.
What is the InChIKey of 3,6-bis(ethenoxymethyl)cyclohexene?
The InChIKey is GDWPEXIOIUFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-5,7,11-12H,1-2,6,8-10H2.
What are the key properties of 3,6-bis(ethenoxymethyl)cyclohexene?
3,6-bis(ethenoxymethyl)cyclohexene has a molecular weight of 194.27 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(ethenoxymethyl)cyclohexene is sourced from PubChem (CID 122650698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).