4,4-bis(ethenoxymethyl)cyclohexene

C12H18O2 — CID 89106982

IUPAC4,4-bis(ethenoxymethyl)cyclohexene
SMILESC=COCC1(COC=C)CC=CCC1
InChIInChI=1S/C12H18O2/c1-3-13-10-12(11-14-4-2)8-6-5-7-9-12/h3-6H,1-2,7-11H2
InChIKeyJQEHKJKTNVNCKQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.03
Rot. Bonds6

About 4,4-bis(ethenoxymethyl)cyclohexene

4,4-bis(ethenoxymethyl)cyclohexene (PubChem CID 89106982) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4,4-bis(ethenoxymethyl)cyclohexene.

Molecular Properties

Compound Name4,4-bis(ethenoxymethyl)cyclohexene
PubChem CID89106982
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4,4-bis(ethenoxymethyl)cyclohexene
SMILESC=COCC1(COC=C)CC=CCC1
InChIInChI=1S/C12H18O2/c1-3-13-10-12(11-14-4-2)8-6-5-7-9-12/h3-6H,1-2,7-11H2
InChIKeyJQEHKJKTNVNCKQ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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 4,4-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 4,4-bis(ethenoxymethyl)cyclohexene?
The IUPAC name of 4,4-bis(ethenoxymethyl)cyclohexene (CID 89106982) is 4,4-bis(ethenoxymethyl)cyclohexene.
What is the SMILES notation for 4,4-bis(ethenoxymethyl)cyclohexene?
The canonical SMILES for 4,4-bis(ethenoxymethyl)cyclohexene is C=COCC1(COC=C)CC=CCC1.
What is the InChIKey of 4,4-bis(ethenoxymethyl)cyclohexene?
The InChIKey is JQEHKJKTNVNCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-13-10-12(11-14-4-2)8-6-5-7-9-12/h3-6H,1-2,7-11H2.
What are the key properties of 4,4-bis(ethenoxymethyl)cyclohexene?
4,4-bis(ethenoxymethyl)cyclohexene has a molecular weight of 194.27 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethenoxymethyl)cyclohexene is sourced from PubChem (CID 89106982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).