2,4,5-tritert-butyl-1,3-dioxolane

C15H30O2 — CID 59000177

IUPAC2,4,5-tritert-butyl-1,3-dioxolane
SMILESCC(C)(C)C1OC(C(C)(C)C)C(C(C)(C)C)O1
InChIInChI=1S/C15H30O2/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h10-12H,1-9H3
InChIKeyQBOMCDSHQHRTOJ-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.23
Rot. Bonds

About 2,4,5-tritert-butyl-1,3-dioxolane

2,4,5-tritert-butyl-1,3-dioxolane (PubChem CID 59000177) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2,4,5-tritert-butyl-1,3-dioxolane.

Molecular Properties

Compound Name2,4,5-tritert-butyl-1,3-dioxolane
PubChem CID59000177
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2,4,5-tritert-butyl-1,3-dioxolane
SMILESCC(C)(C)C1OC(C(C)(C)C)C(C(C)(C)C)O1
InChIInChI=1S/C15H30O2/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h10-12H,1-9H3
InChIKeyQBOMCDSHQHRTOJ-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tritert-butyl-1,3-dioxolane?
The IUPAC name of 2,4,5-tritert-butyl-1,3-dioxolane (CID 59000177) is 2,4,5-tritert-butyl-1,3-dioxolane.
What is the SMILES notation for 2,4,5-tritert-butyl-1,3-dioxolane?
The canonical SMILES for 2,4,5-tritert-butyl-1,3-dioxolane is CC(C)(C)C1OC(C(C)(C)C)C(C(C)(C)C)O1.
What is the InChIKey of 2,4,5-tritert-butyl-1,3-dioxolane?
The InChIKey is QBOMCDSHQHRTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h10-12H,1-9H3.
What are the key properties of 2,4,5-tritert-butyl-1,3-dioxolane?
2,4,5-tritert-butyl-1,3-dioxolane has a molecular weight of 242.40 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tritert-butyl-1,3-dioxolane is sourced from PubChem (CID 59000177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).