2-tert-butyl-2-phenyl-1,3-dioxolane

C13H18O2 — CID 590932

IUPAC2-tert-butyl-2-phenyl-1,3-dioxolane
SMILESCC(C)(C)C1(c2ccccc2)OCCO1
InChIInChI=1S/C13H18O2/c1-12(2,3)13(14-9-10-15-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyDONCIWYKEJRZLE-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.93
Rot. Bonds1

About 2-tert-butyl-2-phenyl-1,3-dioxolane

2-tert-butyl-2-phenyl-1,3-dioxolane (PubChem CID 590932) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-tert-butyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-tert-butyl-2-phenyl-1,3-dioxolane
PubChem CID590932
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-tert-butyl-2-phenyl-1,3-dioxolane
SMILESCC(C)(C)C1(c2ccccc2)OCCO1
InChIInChI=1S/C13H18O2/c1-12(2,3)13(14-9-10-15-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyDONCIWYKEJRZLE-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-2-phenyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-tert-butyl-2-phenyl-1,3-dioxolane (CID 590932) is 2-tert-butyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-tert-butyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-tert-butyl-2-phenyl-1,3-dioxolane is CC(C)(C)C1(c2ccccc2)OCCO1.
What is the InChIKey of 2-tert-butyl-2-phenyl-1,3-dioxolane?
The InChIKey is DONCIWYKEJRZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-12(2,3)13(14-9-10-15-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-tert-butyl-2-phenyl-1,3-dioxolane?
2-tert-butyl-2-phenyl-1,3-dioxolane has a molecular weight of 206.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 590932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).