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

C17H26O2 — CID 83958342

IUPAC2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(C(C)(C)C)ccc2C)OCCO1
InChIInChI=1S/C17H26O2/c1-6-9-17(18-10-11-19-17)15-12-14(16(3,4)5)8-7-13(15)2/h7-8,12H,6,9-11H2,1-5H3
InChIKeyOVBPYRKRGVSRJO-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.29
Rot. Bonds3

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

2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane (PubChem CID 83958342) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane
PubChem CID83958342
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(C(C)(C)C)ccc2C)OCCO1
InChIInChI=1S/C17H26O2/c1-6-9-17(18-10-11-19-17)15-12-14(16(3,4)5)8-7-13(15)2/h7-8,12H,6,9-11H2,1-5H3
InChIKeyOVBPYRKRGVSRJO-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.29
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-methylphenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane (CID 83958342) is 2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane is CCCC1(c2cc(C(C)(C)C)ccc2C)OCCO1.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane?
The InChIKey is OVBPYRKRGVSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-9-17(18-10-11-19-17)15-12-14(16(3,4)5)8-7-13(15)2/h7-8,12H,6,9-11H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane?
2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane has a molecular weight of 262.39 g/mol, XLogP of 4.29, 3 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-methylphenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83958342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).