4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane

C17H26O3 — CID 68913818

IUPAC4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCc1ccc(OCC2COC(C)(C)O2)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O3/c1-12-7-8-15(14(9-12)16(2,3)4)18-10-13-11-19-17(5,6)20-13/h7-9,13H,10-11H2,1-6H3
InChIKeyCWMSYZIPLSGPBI-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.82
Rot. Bonds3

About 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane

4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 68913818) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID68913818
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCc1ccc(OCC2COC(C)(C)O2)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O3/c1-12-7-8-15(14(9-12)16(2,3)4)18-10-13-11-19-17(5,6)20-13/h7-9,13H,10-11H2,1-6H3
InChIKeyCWMSYZIPLSGPBI-UHFFFAOYSA-N
XLogP3.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane (CID 68913818) is 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane is Cc1ccc(OCC2COC(C)(C)O2)c(C(C)(C)C)c1.
What is the InChIKey of 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is CWMSYZIPLSGPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-12-7-8-15(14(9-12)16(2,3)4)18-10-13-11-19-17(5,6)20-13/h7-9,13H,10-11H2,1-6H3.
What are the key properties of 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 278.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 68913818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).