[(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate

C26H24O3 — CID 11090295

IUPAC[(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate
SMILESO=C(O/C=C\O[C@@H]1CCCC1(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24O3/c27-25(21-11-4-1-5-12-21)29-20-19-28-24-17-10-18-26(24,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,19-20,24H,10,17-18H2/b20-19-/t24-/m1/s1
InChIKeyRTWJDVDJIDAXQA-BOAGOGTPSA-N
MW384.48 g/mol
LogP5.87
Rot. Bonds6

About [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate

[(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate (PubChem CID 11090295) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate.

Molecular Properties

Compound Name[(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate
PubChem CID11090295
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Name[(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate
SMILESO=C(O/C=C\O[C@@H]1CCCC1(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24O3/c27-25(21-11-4-1-5-12-21)29-20-19-28-24-17-10-18-26(24,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,19-20,24H,10,17-18H2/b20-19-/t24-/m1/s1
InChIKeyRTWJDVDJIDAXQA-BOAGOGTPSA-N
XLogP5.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate?
The IUPAC name of [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate (CID 11090295) is [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate.
What is the SMILES notation for [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate?
The canonical SMILES for [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate is O=C(O/C=C\O[C@@H]1CCCC1(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate?
The InChIKey is RTWJDVDJIDAXQA-BOAGOGTPSA-N. The full InChI is InChI=1S/C26H24O3/c27-25(21-11-4-1-5-12-21)29-20-19-28-24-17-10-18-26(24,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,19-20,24H,10,17-18H2/b20-19-/t24-/m1/s1.
What are the key properties of [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate?
[(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate has a molecular weight of 384.48 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[(1R)-2,2-diphenylcyclopentyl]oxyethenyl] benzoate is sourced from PubChem (CID 11090295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).