(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane

C22H24O2 — CID 11141751

IUPAC(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
SMILESC=CC[C@H]1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O[C@@H]1CC=C
InChIInChI=1S/C22H24O2/c1-3-11-19-20(12-4-2)24-22(18-15-9-6-10-16-18)21(23-19)17-13-7-5-8-14-17/h3-10,13-16,19-22H,1-2,11-12H2/t19-,20-,21-,22-/m1/s1
InChIKeyIMOHTHOATRVEIR-GXRSIYKFSA-N
MW320.43 g/mol
LogP5.41
Rot. Bonds6

About (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane

(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane (PubChem CID 11141751) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
PubChem CID11141751
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
SMILESC=CC[C@H]1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O[C@@H]1CC=C
InChIInChI=1S/C22H24O2/c1-3-11-19-20(12-4-2)24-22(18-15-9-6-10-16-18)21(23-19)17-13-7-5-8-14-17/h3-10,13-16,19-22H,1-2,11-12H2/t19-,20-,21-,22-/m1/s1
InChIKeyIMOHTHOATRVEIR-GXRSIYKFSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane 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 (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane?
The IUPAC name of (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane (CID 11141751) is (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane.
What is the SMILES notation for (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane?
The canonical SMILES for (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane is C=CC[C@H]1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O[C@@H]1CC=C.
What is the InChIKey of (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane?
The InChIKey is IMOHTHOATRVEIR-GXRSIYKFSA-N. The full InChI is InChI=1S/C22H24O2/c1-3-11-19-20(12-4-2)24-22(18-15-9-6-10-16-18)21(23-19)17-13-7-5-8-14-17/h3-10,13-16,19-22H,1-2,11-12H2/t19-,20-,21-,22-/m1/s1.
What are the key properties of (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane?
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane has a molecular weight of 320.43 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane is sourced from PubChem (CID 11141751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).