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

C17H24O4 — CID 551148

IUPAC5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)C(Cc2ccccc2)(C(C)(C)O)O1
InChIInChI=1S/C17H24O4/c1-15(2,3)14-20-13(18)17(21-14,16(4,5)19)11-12-9-7-6-8-10-12/h6-10,14,19H,11H2,1-5H3
InChIKeyOBZWDLKABOMNMY-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.68
Rot. Bonds3

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

5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one (PubChem CID 551148) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one
PubChem CID551148
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)C(Cc2ccccc2)(C(C)(C)O)O1
InChIInChI=1S/C17H24O4/c1-15(2,3)14-20-13(18)17(21-14,16(4,5)19)11-12-9-7-6-8-10-12/h6-10,14,19H,11H2,1-5H3
InChIKeyOBZWDLKABOMNMY-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one?
The IUPAC name of 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one (CID 551148) is 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one.
What is the SMILES notation for 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one?
The canonical SMILES for 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one is CC(C)(C)C1OC(=O)C(Cc2ccccc2)(C(C)(C)O)O1.
What is the InChIKey of 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one?
The InChIKey is OBZWDLKABOMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-15(2,3)14-20-13(18)17(21-14,16(4,5)19)11-12-9-7-6-8-10-12/h6-10,14,19H,11H2,1-5H3.
What are the key properties of 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one?
5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one has a molecular weight of 292.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-tert-butyl-5-(2-hydroxypropan-2-yl)-1,3-dioxolan-4-one is sourced from PubChem (CID 551148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).