(3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one

C13H20O5 — CID 67242210

IUPAC(3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one
SMILESCO[C@H]1C(=O)O[C@@H]([C@H](O)C=CC2CCCC2)[C@H]1O
InChIInChI=1S/C13H20O5/c1-17-12-10(15)11(18-13(12)16)9(14)7-6-8-4-2-3-5-8/h6-12,14-15H,2-5H2,1H3/t9-,10-,11+,12-/m1/s1
InChIKeyMPNMIXQVRZLHEP-WISYIIOYSA-N
MW256.30 g/mol
LogP0.40
Rot. Bonds4

About (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one

(3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one (PubChem CID 67242210) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one
PubChem CID67242210
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name(3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one
SMILESCO[C@H]1C(=O)O[C@@H]([C@H](O)C=CC2CCCC2)[C@H]1O
InChIInChI=1S/C13H20O5/c1-17-12-10(15)11(18-13(12)16)9(14)7-6-8-4-2-3-5-8/h6-12,14-15H,2-5H2,1H3/t9-,10-,11+,12-/m1/s1
InChIKeyMPNMIXQVRZLHEP-WISYIIOYSA-N
XLogP0.40
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one?
The IUPAC name of (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one (CID 67242210) is (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one?
The canonical SMILES for (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one is CO[C@H]1C(=O)O[C@@H]([C@H](O)C=CC2CCCC2)[C@H]1O.
What is the InChIKey of (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one?
The InChIKey is MPNMIXQVRZLHEP-WISYIIOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-17-12-10(15)11(18-13(12)16)9(14)7-6-8-4-2-3-5-8/h6-12,14-15H,2-5H2,1H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one?
(3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one has a molecular weight of 256.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-[(1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methoxyoxolan-2-one is sourced from PubChem (CID 67242210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).