2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol

C9H16O4 — CID 147454887

IUPAC2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol
SMILESCC(C)(O)O[C@@H]1CCC([C@H]2CO2)O1
InChIInChI=1S/C9H16O4/c1-9(2,10)13-8-4-3-6(12-8)7-5-11-7/h6-8,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyDYTXNOOHZXXLHB-SPDVFEMOSA-N
MW188.22 g/mol
LogP0.64
Rot. Bonds3

About 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol

2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol (PubChem CID 147454887) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol.

Molecular Properties

Compound Name2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol
PubChem CID147454887
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol
SMILESCC(C)(O)O[C@@H]1CCC([C@H]2CO2)O1
InChIInChI=1S/C9H16O4/c1-9(2,10)13-8-4-3-6(12-8)7-5-11-7/h6-8,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyDYTXNOOHZXXLHB-SPDVFEMOSA-N
XLogP0.64
TPSA51.22 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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol?
The IUPAC name of 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol (CID 147454887) is 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol.
What is the SMILES notation for 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol?
The canonical SMILES for 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol is CC(C)(O)O[C@@H]1CCC([C@H]2CO2)O1.
What is the InChIKey of 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol?
The InChIKey is DYTXNOOHZXXLHB-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(2,10)13-8-4-3-6(12-8)7-5-11-7/h6-8,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1.
What are the key properties of 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol?
2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol has a molecular weight of 188.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol is sourced from PubChem (CID 147454887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).