1,3-bis(ethenoxy)cyclohexane

C10H16O2 — CID 59715545

IUPAC1,3-bis(ethenoxy)cyclohexane
SMILESC=COC1CCCC(OC=C)C1
InChIInChI=1S/C10H16O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyDUKMKNIRPNLVFB-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.62
Rot. Bonds4

About 1,3-bis(ethenoxy)cyclohexane

1,3-bis(ethenoxy)cyclohexane (PubChem CID 59715545) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,3-bis(ethenoxy)cyclohexane.

Molecular Properties

Compound Name1,3-bis(ethenoxy)cyclohexane
PubChem CID59715545
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,3-bis(ethenoxy)cyclohexane
SMILESC=COC1CCCC(OC=C)C1
InChIInChI=1S/C10H16O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyDUKMKNIRPNLVFB-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-bis(ethenoxy)cyclohexane 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 1,3-bis(ethenoxy)cyclohexane?
The IUPAC name of 1,3-bis(ethenoxy)cyclohexane (CID 59715545) is 1,3-bis(ethenoxy)cyclohexane.
What is the SMILES notation for 1,3-bis(ethenoxy)cyclohexane?
The canonical SMILES for 1,3-bis(ethenoxy)cyclohexane is C=COC1CCCC(OC=C)C1.
What is the InChIKey of 1,3-bis(ethenoxy)cyclohexane?
The InChIKey is DUKMKNIRPNLVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 1,3-bis(ethenoxy)cyclohexane?
1,3-bis(ethenoxy)cyclohexane has a molecular weight of 168.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenoxy)cyclohexane is sourced from PubChem (CID 59715545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).