2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether

C24H36O6 — CID 15704917

IUPAC—
SMILESC=CCOC1C2OC3(CCCCC3)OC2C(OCC=C)C2OC3(CCCCC3)OC12
InChIInChI=1S/C24H36O6/c1-3-15-25-17-19-21(29-23(27-19)11-7-5-8-12-23)18(26-16-4-2)22-20(17)28-24(30-22)13-9-6-10-14-24/h3-4,17-22H,1-2,5-16H2
InChIKeyFSCTWOGSNXMLPZ-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.03
Rot. Bonds6

About 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether

2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether (PubChem CID 15704917) has the molecular formula C24H36O6 and a molecular weight of 420.55 g/mol.

Molecular Properties

Compound Name2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether
PubChem CID15704917
Molecular FormulaC24H36O6
Molecular Weight420.55 g/mol
Exact Mass420.25
IUPAC Name—
SMILESC=CCOC1C2OC3(CCCCC3)OC2C(OCC=C)C2OC3(CCCCC3)OC12
InChIInChI=1S/C24H36O6/c1-3-15-25-17-19-21(29-23(27-19)11-7-5-8-12-23)18(26-16-4-2)22-20(17)28-24(30-22)13-9-6-10-14-24/h3-4,17-22H,1-2,5-16H2
InChIKeyFSCTWOGSNXMLPZ-UHFFFAOYSA-N
XLogP4.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether 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 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether?
The IUPAC name of 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether (CID 15704917) is not available.
What is the SMILES notation for 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether?
The canonical SMILES for 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether is C=CCOC1C2OC3(CCCCC3)OC2C(OCC=C)C2OC3(CCCCC3)OC12.
What is the InChIKey of 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether?
The InChIKey is FSCTWOGSNXMLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O6/c1-3-15-25-17-19-21(29-23(27-19)11-7-5-8-12-23)18(26-16-4-2)22-20(17)28-24(30-22)13-9-6-10-14-24/h3-4,17-22H,1-2,5-16H2.
What are the key properties of 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether?
2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether has a molecular weight of 420.55 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3:5,6-Di-O-1-Cyclohexylieden-1,4-cyclohexandiallylether is sourced from PubChem (CID 15704917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).