2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one

C11H20O4 — CID 550757

IUPAC2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)C(C)(C(C)(C)O)O1
InChIInChI=1S/C11H20O4/c1-9(2,3)8-14-7(12)11(6,15-8)10(4,5)13/h8,13H,1-6H3
InChIKeyYIBYNFQYSZJTTC-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.46
Rot. Bonds1

About 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one

2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one (PubChem CID 550757) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one
PubChem CID550757
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)C(C)(C(C)(C)O)O1
InChIInChI=1S/C11H20O4/c1-9(2,3)8-14-7(12)11(6,15-8)10(4,5)13/h8,13H,1-6H3
InChIKeyYIBYNFQYSZJTTC-UHFFFAOYSA-N
XLogP1.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one?
The IUPAC name of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one (CID 550757) is 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one.
What is the SMILES notation for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one?
The canonical SMILES for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one is CC(C)(C)C1OC(=O)C(C)(C(C)(C)O)O1.
What is the InChIKey of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one?
The InChIKey is YIBYNFQYSZJTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(2,3)8-14-7(12)11(6,15-8)10(4,5)13/h8,13H,1-6H3.
What are the key properties of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one?
2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one has a molecular weight of 216.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-dioxolan-4-one is sourced from PubChem (CID 550757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).