2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane

C17H26O3 — CID 83958354

IUPAC2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
SMILESCCOc1ccc(C(C)(C)C)cc1C1(CC)OCCO1
InChIInChI=1S/C17H26O3/c1-6-17(19-10-11-20-17)14-12-13(16(3,4)5)8-9-15(14)18-7-2/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyCHCHIKUAFVBJKZ-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.99
Rot. Bonds4

About 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane

2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane (PubChem CID 83958354) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
PubChem CID83958354
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
SMILESCCOc1ccc(C(C)(C)C)cc1C1(CC)OCCO1
InChIInChI=1S/C17H26O3/c1-6-17(19-10-11-20-17)14-12-13(16(3,4)5)8-9-15(14)18-7-2/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyCHCHIKUAFVBJKZ-UHFFFAOYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane (CID 83958354) is 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane is CCOc1ccc(C(C)(C)C)cc1C1(CC)OCCO1.
What is the InChIKey of 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane?
The InChIKey is CHCHIKUAFVBJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-6-17(19-10-11-20-17)14-12-13(16(3,4)5)8-9-15(14)18-7-2/h8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane?
2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane has a molecular weight of 278.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 83958354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).