(2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one

C18H22O4 — CID 54308540

IUPAC(2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCC(=O)C2)O1
InChIInChI=1S/C18H22O4/c1-17(2,3)16-21-15(20)18(22-16,12-7-5-4-6-8-12)13-9-10-14(19)11-13/h4-8,13,16H,9-11H2,1-3H3/t13?,16-,18-/m0/s1
InChIKeySJGBQSQRICQZAC-DLJHKNHVSA-N
MW302.37 g/mol
LogP3.20
Rot. Bonds2

About (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one

(2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one (PubChem CID 54308540) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one
PubChem CID54308540
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name(2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCC(=O)C2)O1
InChIInChI=1S/C18H22O4/c1-17(2,3)16-21-15(20)18(22-16,12-7-5-4-6-8-12)13-9-10-14(19)11-13/h4-8,13,16H,9-11H2,1-3H3/t13?,16-,18-/m0/s1
InChIKeySJGBQSQRICQZAC-DLJHKNHVSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one?
The IUPAC name of (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one (CID 54308540) is (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one is CC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCC(=O)C2)O1.
What is the InChIKey of (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one?
The InChIKey is SJGBQSQRICQZAC-DLJHKNHVSA-N. The full InChI is InChI=1S/C18H22O4/c1-17(2,3)16-21-15(20)18(22-16,12-7-5-4-6-8-12)13-9-10-14(19)11-13/h4-8,13,16H,9-11H2,1-3H3/t13?,16-,18-/m0/s1.
What are the key properties of (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one?
(2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one has a molecular weight of 302.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-tert-butyl-5-(3-oxocyclopentyl)-5-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 54308540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).