2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane

C17H34O — CID 20662926

IUPAC2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane
SMILESCCC1OC(C(C)(C)C)C(C)C(C(C)(C)C)C1C
InChIInChI=1S/C17H34O/c1-10-13-11(2)14(16(4,5)6)12(3)15(18-13)17(7,8)9/h11-15H,10H2,1-9H3
InChIKeyJXGSOEHERLJYQW-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.14
Rot. Bonds1

About 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane

2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane (PubChem CID 20662926) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane.

Molecular Properties

Compound Name2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane
PubChem CID20662926
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane
SMILESCCC1OC(C(C)(C)C)C(C)C(C(C)(C)C)C1C
InChIInChI=1S/C17H34O/c1-10-13-11(2)14(16(4,5)6)12(3)15(18-13)17(7,8)9/h11-15H,10H2,1-9H3
InChIKeyJXGSOEHERLJYQW-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane?
The IUPAC name of 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane (CID 20662926) is 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane.
What is the SMILES notation for 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane?
The canonical SMILES for 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane is CCC1OC(C(C)(C)C)C(C)C(C(C)(C)C)C1C.
What is the InChIKey of 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane?
The InChIKey is JXGSOEHERLJYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-10-13-11(2)14(16(4,5)6)12(3)15(18-13)17(7,8)9/h11-15H,10H2,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane?
2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane has a molecular weight of 254.46 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-ethyl-3,5-dimethyloxane is sourced from PubChem (CID 20662926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).