(4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one

C11H16O3 — CID 58013695

IUPAC(4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one
SMILESCC1CCC(=O)[C@@H]1C1OC(=O)C[C@H]1C
InChIInChI=1S/C11H16O3/c1-6-3-4-8(12)10(6)11-7(2)5-9(13)14-11/h6-7,10-11H,3-5H2,1-2H3/t6?,7-,10-,11?/m1/s1
InChIKeyUJSAQWYQNODGQA-YOYSSPKESA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds1

About (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one

(4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one (PubChem CID 58013695) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one
PubChem CID58013695
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one
SMILESCC1CCC(=O)[C@@H]1C1OC(=O)C[C@H]1C
InChIInChI=1S/C11H16O3/c1-6-3-4-8(12)10(6)11-7(2)5-9(13)14-11/h6-7,10-11H,3-5H2,1-2H3/t6?,7-,10-,11?/m1/s1
InChIKeyUJSAQWYQNODGQA-YOYSSPKESA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one?
The IUPAC name of (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one (CID 58013695) is (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one.
What is the SMILES notation for (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one?
The canonical SMILES for (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one is CC1CCC(=O)[C@@H]1C1OC(=O)C[C@H]1C.
What is the InChIKey of (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one?
The InChIKey is UJSAQWYQNODGQA-YOYSSPKESA-N. The full InChI is InChI=1S/C11H16O3/c1-6-3-4-8(12)10(6)11-7(2)5-9(13)14-11/h6-7,10-11H,3-5H2,1-2H3/t6?,7-,10-,11?/m1/s1.
What are the key properties of (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one?
(4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one is sourced from PubChem (CID 58013695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).