2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane

C18H28O2 — CID 83957578

IUPAC2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(C(C)(C)C)ccc2CC)OCCO1
InChIInChI=1S/C18H28O2/c1-6-10-18(19-11-12-20-18)16-13-15(17(3,4)5)9-8-14(16)7-2/h8-9,13H,6-7,10-12H2,1-5H3
InChIKeyFIHIYJHKNMDMLF-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.55
Rot. Bonds4

About 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane

2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane (PubChem CID 83957578) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane
PubChem CID83957578
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(C(C)(C)C)ccc2CC)OCCO1
InChIInChI=1S/C18H28O2/c1-6-10-18(19-11-12-20-18)16-13-15(17(3,4)5)9-8-14(16)7-2/h8-9,13H,6-7,10-12H2,1-5H3
InChIKeyFIHIYJHKNMDMLF-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane (CID 83957578) is 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane is CCCC1(c2cc(C(C)(C)C)ccc2CC)OCCO1.
What is the InChIKey of 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane?
The InChIKey is FIHIYJHKNMDMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-6-10-18(19-11-12-20-18)16-13-15(17(3,4)5)9-8-14(16)7-2/h8-9,13H,6-7,10-12H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane?
2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane has a molecular weight of 276.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83957578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).