(5R)-5-phenyl-1,3-dioxolane-2,4-dione

C9H6O4 — CID 6452960

IUPAC(5R)-5-phenyl-1,3-dioxolane-2,4-dione
SMILESO=C1OC(=O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C9H6O4/c10-8-7(12-9(11)13-8)6-4-2-1-3-5-6/h1-5,7H/t7-/m1/s1
InChIKeyCEJWBKYULAPCRN-SSDOTTSWSA-N
MW178.14 g/mol
LogP1.42
Rot. Bonds1

About (5R)-5-phenyl-1,3-dioxolane-2,4-dione

(5R)-5-phenyl-1,3-dioxolane-2,4-dione (PubChem CID 6452960) has the molecular formula C9H6O4 and a molecular weight of 178.14 g/mol. Its IUPAC name is (5R)-5-phenyl-1,3-dioxolane-2,4-dione.

Molecular Properties

Compound Name(5R)-5-phenyl-1,3-dioxolane-2,4-dione
PubChem CID6452960
Molecular FormulaC9H6O4
Molecular Weight178.14 g/mol
Exact Mass178.03
IUPAC Name(5R)-5-phenyl-1,3-dioxolane-2,4-dione
SMILESO=C1OC(=O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C9H6O4/c10-8-7(12-9(11)13-8)6-4-2-1-3-5-6/h1-5,7H/t7-/m1/s1
InChIKeyCEJWBKYULAPCRN-SSDOTTSWSA-N
XLogP1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5R)-5-phenyl-1,3-dioxolane-2,4-dione?
The IUPAC name of (5R)-5-phenyl-1,3-dioxolane-2,4-dione (CID 6452960) is (5R)-5-phenyl-1,3-dioxolane-2,4-dione.
What is the SMILES notation for (5R)-5-phenyl-1,3-dioxolane-2,4-dione?
The canonical SMILES for (5R)-5-phenyl-1,3-dioxolane-2,4-dione is O=C1OC(=O)[C@@H](c2ccccc2)O1.
What is the InChIKey of (5R)-5-phenyl-1,3-dioxolane-2,4-dione?
The InChIKey is CEJWBKYULAPCRN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6O4/c10-8-7(12-9(11)13-8)6-4-2-1-3-5-6/h1-5,7H/t7-/m1/s1.
What are the key properties of (5R)-5-phenyl-1,3-dioxolane-2,4-dione?
(5R)-5-phenyl-1,3-dioxolane-2,4-dione has a molecular weight of 178.14 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-1,3-dioxolane-2,4-dione is sourced from PubChem (CID 6452960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).