(3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one

C7H12O4 — CID 158397605

IUPAC(3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one
SMILESCC[C@H]1OC(=O)[C@H](O)[C@@H]1OC
InChIInChI=1S/C7H12O4/c1-3-4-6(10-2)5(8)7(9)11-4/h4-6,8H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyPOXULTTWVCDPTR-HSUXUTPPSA-N
MW160.17 g/mol
LogP-0.30
Rot. Bonds2

About (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one

(3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one (PubChem CID 158397605) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one
PubChem CID158397605
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one
SMILESCC[C@H]1OC(=O)[C@H](O)[C@@H]1OC
InChIInChI=1S/C7H12O4/c1-3-4-6(10-2)5(8)7(9)11-4/h4-6,8H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyPOXULTTWVCDPTR-HSUXUTPPSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one?
The IUPAC name of (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one (CID 158397605) is (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one?
The canonical SMILES for (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one is CC[C@H]1OC(=O)[C@H](O)[C@@H]1OC.
What is the InChIKey of (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one?
The InChIKey is POXULTTWVCDPTR-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H12O4/c1-3-4-6(10-2)5(8)7(9)11-4/h4-6,8H,3H2,1-2H3/t4-,5-,6-/m1/s1.
What are the key properties of (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one?
(3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one has a molecular weight of 160.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-one is sourced from PubChem (CID 158397605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).