2-(3-tert-butylphenyl)-1,3-dioxolane

C13H18O2 — CID 20586734

IUPAC2-(3-tert-butylphenyl)-1,3-dioxolane
SMILESCC(C)(C)c1cccc(C2OCCO2)c1
InChIInChI=1S/C13H18O2/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12/h4-6,9,12H,7-8H2,1-3H3
InChIKeyLETRHSKLVKPDOP-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.03
Rot. Bonds1

About 2-(3-tert-butylphenyl)-1,3-dioxolane

2-(3-tert-butylphenyl)-1,3-dioxolane (PubChem CID 20586734) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-1,3-dioxolane
PubChem CID20586734
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(3-tert-butylphenyl)-1,3-dioxolane
SMILESCC(C)(C)c1cccc(C2OCCO2)c1
InChIInChI=1S/C13H18O2/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12/h4-6,9,12H,7-8H2,1-3H3
InChIKeyLETRHSKLVKPDOP-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-tert-butylphenyl)-1,3-dioxolane (CID 20586734) is 2-(3-tert-butylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-tert-butylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-tert-butylphenyl)-1,3-dioxolane is CC(C)(C)c1cccc(C2OCCO2)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-1,3-dioxolane?
The InChIKey is LETRHSKLVKPDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 2-(3-tert-butylphenyl)-1,3-dioxolane?
2-(3-tert-butylphenyl)-1,3-dioxolane has a molecular weight of 206.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-1,3-dioxolane is sourced from PubChem (CID 20586734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).