5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one

C11H20O4 — CID 163730000

IUPAC5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one
SMILESCC1C(=O)OC(CCOC(C)(C)O)C1C
InChIInChI=1S/C11H20O4/c1-7-8(2)10(12)15-9(7)5-6-14-11(3,4)13/h7-9,13H,5-6H2,1-4H3
InChIKeyKYULZPKZWKMMTI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.32
Rot. Bonds4

About 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one

5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one (PubChem CID 163730000) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one
PubChem CID163730000
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one
SMILESCC1C(=O)OC(CCOC(C)(C)O)C1C
InChIInChI=1S/C11H20O4/c1-7-8(2)10(12)15-9(7)5-6-14-11(3,4)13/h7-9,13H,5-6H2,1-4H3
InChIKeyKYULZPKZWKMMTI-UHFFFAOYSA-N
XLogP1.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one?
The IUPAC name of 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one (CID 163730000) is 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one.
What is the SMILES notation for 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one?
The canonical SMILES for 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one is CC1C(=O)OC(CCOC(C)(C)O)C1C.
What is the InChIKey of 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one?
The InChIKey is KYULZPKZWKMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-7-8(2)10(12)15-9(7)5-6-14-11(3,4)13/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one?
5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 163730000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).