(1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane

C20H20O4 — CID 10543969

IUPAC(1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane
SMILESc1ccc([C@H]2OO[C@@H]3[C@H]4CC[C@H](C4)[C@]3(c3ccccc3)OO2)cc1
InChIInChI=1S/C20H20O4/c1-3-7-14(8-4-1)19-22-21-18-15-11-12-17(13-15)20(18,24-23-19)16-9-5-2-6-10-16/h1-10,15,17-19H,11-13H2/t15-,17+,18+,19-,20-/m0/s1
InChIKeyAHWYYKFVIQCORM-VRCPBSEVSA-N
MW324.38 g/mol
LogP4.29
Rot. Bonds2

About (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane

(1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane (PubChem CID 10543969) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane.

Molecular Properties

Compound Name(1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane
PubChem CID10543969
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane
SMILESc1ccc([C@H]2OO[C@@H]3[C@H]4CC[C@H](C4)[C@]3(c3ccccc3)OO2)cc1
InChIInChI=1S/C20H20O4/c1-3-7-14(8-4-1)19-22-21-18-15-11-12-17(13-15)20(18,24-23-19)16-9-5-2-6-10-16/h1-10,15,17-19H,11-13H2/t15-,17+,18+,19-,20-/m0/s1
InChIKeyAHWYYKFVIQCORM-VRCPBSEVSA-N
XLogP4.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane?
The IUPAC name of (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane (CID 10543969) is (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane.
What is the SMILES notation for (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane?
The canonical SMILES for (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane is c1ccc([C@H]2OO[C@@H]3[C@H]4CC[C@H](C4)[C@]3(c3ccccc3)OO2)cc1.
What is the InChIKey of (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane?
The InChIKey is AHWYYKFVIQCORM-VRCPBSEVSA-N. The full InChI is InChI=1S/C20H20O4/c1-3-7-14(8-4-1)19-22-21-18-15-11-12-17(13-15)20(18,24-23-19)16-9-5-2-6-10-16/h1-10,15,17-19H,11-13H2/t15-,17+,18+,19-,20-/m0/s1.
What are the key properties of (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane?
(1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane has a molecular weight of 324.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,8R,9S)-2,5-diphenyl-3,4,6,7-tetraoxatricyclo[7.2.1.02,8]dodecane is sourced from PubChem (CID 10543969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).