(3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one

C7H12O3 — CID 118708001

IUPAC(3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one
SMILESC[C@@H](O)[C@H]1COC(=O)[C@@H]1C
InChIInChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4-6,8H,3H2,1-2H3/t4-,5-,6+/m1/s1
InChIKeyWZGGLCJULKAURB-PBXRRBTRSA-N
MW144.17 g/mol
LogP0.18
Rot. Bonds1

About (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one

(3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one (PubChem CID 118708001) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one
PubChem CID118708001
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one
SMILESC[C@@H](O)[C@H]1COC(=O)[C@@H]1C
InChIInChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4-6,8H,3H2,1-2H3/t4-,5-,6+/m1/s1
InChIKeyWZGGLCJULKAURB-PBXRRBTRSA-N
XLogP0.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one?
The IUPAC name of (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one (CID 118708001) is (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one.
What is the SMILES notation for (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one?
The canonical SMILES for (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one is C[C@@H](O)[C@H]1COC(=O)[C@@H]1C.
What is the InChIKey of (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one?
The InChIKey is WZGGLCJULKAURB-PBXRRBTRSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4-6,8H,3H2,1-2H3/t4-,5-,6+/m1/s1.
What are the key properties of (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one?
(3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one is sourced from PubChem (CID 118708001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).