(5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]

C26H28O3 — CID 71527345

IUPAC(5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]
SMILESC=C(c1ccccc1)[C@H]1OOC2(O[C@@H]1c1ccccc1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C26H28O3/c1-17(20-8-4-2-5-9-20)24-25(21-10-6-3-7-11-21)27-26(29-28-24)22-13-18-12-19(15-22)16-23(26)14-18/h2-11,18-19,22-25H,1,12-16H2/t18?,19?,22?,23?,24-,25-,26?/m1/s1
InChIKeyWUHHMYXFIFOTQI-XGQBMCKGSA-N
MW388.51 g/mol
LogP5.94
Rot. Bonds3

About (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]

(5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane] (PubChem CID 71527345) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane].

Molecular Properties

Compound Name(5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]
PubChem CID71527345
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name(5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]
SMILESC=C(c1ccccc1)[C@H]1OOC2(O[C@@H]1c1ccccc1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C26H28O3/c1-17(20-8-4-2-5-9-20)24-25(21-10-6-3-7-11-21)27-26(29-28-24)22-13-18-12-19(15-22)16-23(26)14-18/h2-11,18-19,22-25H,1,12-16H2/t18?,19?,22?,23?,24-,25-,26?/m1/s1
InChIKeyWUHHMYXFIFOTQI-XGQBMCKGSA-N
XLogP5.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane] 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 (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]?
The IUPAC name of (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane] (CID 71527345) is (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane].
What is the SMILES notation for (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]?
The canonical SMILES for (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane] is C=C(c1ccccc1)[C@H]1OOC2(O[C@@H]1c1ccccc1)C1CC3CC(C1)CC2C3.
What is the InChIKey of (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]?
The InChIKey is WUHHMYXFIFOTQI-XGQBMCKGSA-N. The full InChI is InChI=1S/C26H28O3/c1-17(20-8-4-2-5-9-20)24-25(21-10-6-3-7-11-21)27-26(29-28-24)22-13-18-12-19(15-22)16-23(26)14-18/h2-11,18-19,22-25H,1,12-16H2/t18?,19?,22?,23?,24-,25-,26?/m1/s1.
What are the key properties of (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane]?
(5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane] has a molecular weight of 388.51 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-phenyl-6-(1-phenylethenyl)spiro[1,2,4-trioxane-3,2'-adamantane] is sourced from PubChem (CID 71527345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).