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

C13H20O4 — CID 71158035

IUPAC(3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one
SMILESC[C@H]1C(=O)OC([C@H](O)/C=C/C2CCCC2)C1O
InChIInChI=1S/C13H20O4/c1-8-11(15)12(17-13(8)16)10(14)7-6-9-4-2-3-5-9/h6-12,14-15H,2-5H2,1H3/b7-6+/t8-,10-,11?,12?/m1/s1
InChIKeyKGBZFEQKFOPSJD-BMNFHGHESA-N
MW240.30 g/mol
LogP1.02
Rot. Bonds3

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

(3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one (PubChem CID 71158035) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one
PubChem CID71158035
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one
SMILESC[C@H]1C(=O)OC([C@H](O)/C=C/C2CCCC2)C1O
InChIInChI=1S/C13H20O4/c1-8-11(15)12(17-13(8)16)10(14)7-6-9-4-2-3-5-9/h6-12,14-15H,2-5H2,1H3/b7-6+/t8-,10-,11?,12?/m1/s1
InChIKeyKGBZFEQKFOPSJD-BMNFHGHESA-N
XLogP1.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one?
The IUPAC name of (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one (CID 71158035) is (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one.
What is the SMILES notation for (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one?
The canonical SMILES for (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one is C[C@H]1C(=O)OC([C@H](O)/C=C/C2CCCC2)C1O.
What is the InChIKey of (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one?
The InChIKey is KGBZFEQKFOPSJD-BMNFHGHESA-N. The full InChI is InChI=1S/C13H20O4/c1-8-11(15)12(17-13(8)16)10(14)7-6-9-4-2-3-5-9/h6-12,14-15H,2-5H2,1H3/b7-6+/t8-,10-,11?,12?/m1/s1.
What are the key properties of (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one?
(3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one has a molecular weight of 240.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(E,1R)-3-cyclopentyl-1-hydroxyprop-2-enyl]-4-hydroxy-3-methyloxolan-2-one is sourced from PubChem (CID 71158035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).