(4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane

C25H28O2 — CID 11810532

IUPAC(4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
SMILESCC(C)[C@@H]1[C@@H](C2O[C@@H](c3ccccc3)[C@H](c3ccccc3)O2)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C25H28O2/c1-16(2)21-19-13-14-20(15-19)22(21)25-26-23(17-9-5-3-6-10-17)24(27-25)18-11-7-4-8-12-18/h3-14,16,19-25H,15H2,1-2H3/t19-,20+,21+,22+,23+,24+/m1/s1
InChIKeyJAMPJSVEDSBYNU-CKOZHMEPSA-N
MW360.50 g/mol
LogP5.94
Rot. Bonds4

About (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane

(4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane (PubChem CID 11810532) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
PubChem CID11810532
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name(4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
SMILESCC(C)[C@@H]1[C@@H](C2O[C@@H](c3ccccc3)[C@H](c3ccccc3)O2)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C25H28O2/c1-16(2)21-19-13-14-20(15-19)22(21)25-26-23(17-9-5-3-6-10-17)24(27-25)18-11-7-4-8-12-18/h3-14,16,19-25H,15H2,1-2H3/t19-,20+,21+,22+,23+,24+/m1/s1
InChIKeyJAMPJSVEDSBYNU-CKOZHMEPSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane with MolForge

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Related Compounds

2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
CID 72810386
(1S,2S,5R,6S,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 165340846
(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 125492867
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
(1S,2S,4R,5S,6R,7R)-5-propan-2-yl-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11414353
2-[(1S,2R,3R,4R)-3-phenyl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane
CID 101236572
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 59070564
2-(4-methylphenyl)-3-phenyloxirane
CID 602487

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane?
The IUPAC name of (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane (CID 11810532) is (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane is CC(C)[C@@H]1[C@@H](C2O[C@@H](c3ccccc3)[C@H](c3ccccc3)O2)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane?
The InChIKey is JAMPJSVEDSBYNU-CKOZHMEPSA-N. The full InChI is InChI=1S/C25H28O2/c1-16(2)21-19-13-14-20(15-19)22(21)25-26-23(17-9-5-3-6-10-17)24(27-25)18-11-7-4-8-12-18/h3-14,16,19-25H,15H2,1-2H3/t19-,20+,21+,22+,23+,24+/m1/s1.
What are the key properties of (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane?
(4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane has a molecular weight of 360.50 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane is sourced from PubChem (CID 11810532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).