2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one

C21H24O4 — CID 603001

IUPAC2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)C(C)(C(O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H24O4/c1-19(2,3)18-24-17(22)20(4,25-18)21(23,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,18,23H,1-4H3
InChIKeyDCLCSSYOJHKKGS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.63
Rot. Bonds3

About 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one

2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one (PubChem CID 603001) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one
PubChem CID603001
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)C(C)(C(O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H24O4/c1-19(2,3)18-24-17(22)20(4,25-18)21(23,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,18,23H,1-4H3
InChIKeyDCLCSSYOJHKKGS-UHFFFAOYSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.63
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-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one?
The IUPAC name of 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one (CID 603001) is 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one.
What is the SMILES notation for 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one?
The canonical SMILES for 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one is CC(C)(C)C1OC(=O)C(C)(C(O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one?
The InChIKey is DCLCSSYOJHKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-19(2,3)18-24-17(22)20(4,25-18)21(23,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,18,23H,1-4H3.
What are the key properties of 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one?
2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one has a molecular weight of 340.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[hydroxy(diphenyl)methyl]-5-methyl-1,3-dioxolan-4-one is sourced from PubChem (CID 603001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).