(3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione

C15H16O3 — CID 124547014

IUPAC(3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione
SMILESO=C1C[C@@H](c2ccc(C3CCCC3)cc2)C(=O)O1
InChIInChI=1S/C15H16O3/c16-14-9-13(15(17)18-14)12-7-5-11(6-8-12)10-3-1-2-4-10/h5-8,10,13H,1-4,9H2/t13-/m0/s1
InChIKeyUKDCOTNNFNISKU-ZDUSSCGKSA-N
MW244.29 g/mol
LogP2.90
Rot. Bonds2

About (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione

(3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione (PubChem CID 124547014) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione
PubChem CID124547014
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione
SMILESO=C1C[C@@H](c2ccc(C3CCCC3)cc2)C(=O)O1
InChIInChI=1S/C15H16O3/c16-14-9-13(15(17)18-14)12-7-5-11(6-8-12)10-3-1-2-4-10/h5-8,10,13H,1-4,9H2/t13-/m0/s1
InChIKeyUKDCOTNNFNISKU-ZDUSSCGKSA-N
XLogP2.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione?
The IUPAC name of (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione (CID 124547014) is (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione.
What is the SMILES notation for (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione?
The canonical SMILES for (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione is O=C1C[C@@H](c2ccc(C3CCCC3)cc2)C(=O)O1.
What is the InChIKey of (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione?
The InChIKey is UKDCOTNNFNISKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16O3/c16-14-9-13(15(17)18-14)12-7-5-11(6-8-12)10-3-1-2-4-10/h5-8,10,13H,1-4,9H2/t13-/m0/s1.
What are the key properties of (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione?
(3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione is sourced from PubChem (CID 124547014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).