diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate

C24H28O5 — CID 11784252

IUPACdiethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O5/c1-3-28-21(25)23(22(26)29-4-2)17-11-16-20(23)24(27,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20,27H,3-4,11,16-17H2,1-2H3
InChIKeyPOGPLPYSWNFJRF-UHFFFAOYSA-N
MW396.48 g/mol
LogP3.84
Rot. Bonds7

About diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate

diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate (PubChem CID 11784252) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate
PubChem CID11784252
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Namediethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O5/c1-3-28-21(25)23(22(26)29-4-2)17-11-16-20(23)24(27,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20,27H,3-4,11,16-17H2,1-2H3
InChIKeyPOGPLPYSWNFJRF-UHFFFAOYSA-N
XLogP3.84
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate (CID 11784252) is diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCCC1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate?
The InChIKey is POGPLPYSWNFJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O5/c1-3-28-21(25)23(22(26)29-4-2)17-11-16-20(23)24(27,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20,27H,3-4,11,16-17H2,1-2H3.
What are the key properties of diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate?
diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate has a molecular weight of 396.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[hydroxy(diphenyl)methyl]cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11784252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).