2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane

C15H22O3 — CID 82087459

IUPAC2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane
SMILESCc1cc(C)c(OCCC2(C)OCCO2)c(C)c1
InChIInChI=1S/C15H22O3/c1-11-9-12(2)14(13(3)10-11)16-6-5-15(4)17-7-8-18-15/h9-10H,5-8H2,1-4H3
InChIKeyFEAHDLQCOWTHQW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane

2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane (PubChem CID 82087459) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane
PubChem CID82087459
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane
SMILESCc1cc(C)c(OCCC2(C)OCCO2)c(C)c1
InChIInChI=1S/C15H22O3/c1-11-9-12(2)14(13(3)10-11)16-6-5-15(4)17-7-8-18-15/h9-10H,5-8H2,1-4H3
InChIKeyFEAHDLQCOWTHQW-UHFFFAOYSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane (CID 82087459) is 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane is Cc1cc(C)c(OCCC2(C)OCCO2)c(C)c1.
What is the InChIKey of 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane?
The InChIKey is FEAHDLQCOWTHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-9-12(2)14(13(3)10-11)16-6-5-15(4)17-7-8-18-15/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane?
2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane has a molecular weight of 250.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-dioxolane is sourced from PubChem (CID 82087459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).