(4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one

C9H16O4 — CID 102415813

IUPAC(4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one
SMILESCCO[C@@H]1OC(=O)C[C@H]1C(C)(C)O
InChIInChI=1S/C9H16O4/c1-4-12-8-6(9(2,3)11)5-7(10)13-8/h6,8,11H,4-5H2,1-3H3/t6-,8-/m1/s1
InChIKeyDLXIEHKSZNYURH-HTRCEHHLSA-N
MW188.22 g/mol
LogP0.68
Rot. Bonds3

About (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one

(4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one (PubChem CID 102415813) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one
PubChem CID102415813
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one
SMILESCCO[C@@H]1OC(=O)C[C@H]1C(C)(C)O
InChIInChI=1S/C9H16O4/c1-4-12-8-6(9(2,3)11)5-7(10)13-8/h6,8,11H,4-5H2,1-3H3/t6-,8-/m1/s1
InChIKeyDLXIEHKSZNYURH-HTRCEHHLSA-N
XLogP0.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one?
The IUPAC name of (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one (CID 102415813) is (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one?
The canonical SMILES for (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one is CCO[C@@H]1OC(=O)C[C@H]1C(C)(C)O.
What is the InChIKey of (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one?
The InChIKey is DLXIEHKSZNYURH-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-12-8-6(9(2,3)11)5-7(10)13-8/h6,8,11H,4-5H2,1-3H3/t6-,8-/m1/s1.
What are the key properties of (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one?
(4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one is sourced from PubChem (CID 102415813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).