2-tert-butyl-3,4,5,6-tetramethyloxane

C13H26O — CID 20707638

IUPAC2-tert-butyl-3,4,5,6-tetramethyloxane
SMILESCC1OC(C(C)(C)C)C(C)C(C)C1C
InChIInChI=1S/C13H26O/c1-8-9(2)11(4)14-12(10(8)3)13(5,6)7/h8-12H,1-7H3
InChIKeyBZRFLQMEEVJQOA-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.73
Rot. Bonds

About 2-tert-butyl-3,4,5,6-tetramethyloxane

2-tert-butyl-3,4,5,6-tetramethyloxane (PubChem CID 20707638) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-tert-butyl-3,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name2-tert-butyl-3,4,5,6-tetramethyloxane
PubChem CID20707638
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-tert-butyl-3,4,5,6-tetramethyloxane
SMILESCC1OC(C(C)(C)C)C(C)C(C)C1C
InChIInChI=1S/C13H26O/c1-8-9(2)11(4)14-12(10(8)3)13(5,6)7/h8-12H,1-7H3
InChIKeyBZRFLQMEEVJQOA-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,5,6-tetramethyloxane?
The IUPAC name of 2-tert-butyl-3,4,5,6-tetramethyloxane (CID 20707638) is 2-tert-butyl-3,4,5,6-tetramethyloxane.
What is the SMILES notation for 2-tert-butyl-3,4,5,6-tetramethyloxane?
The canonical SMILES for 2-tert-butyl-3,4,5,6-tetramethyloxane is CC1OC(C(C)(C)C)C(C)C(C)C1C.
What is the InChIKey of 2-tert-butyl-3,4,5,6-tetramethyloxane?
The InChIKey is BZRFLQMEEVJQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-8-9(2)11(4)14-12(10(8)3)13(5,6)7/h8-12H,1-7H3.
What are the key properties of 2-tert-butyl-3,4,5,6-tetramethyloxane?
2-tert-butyl-3,4,5,6-tetramethyloxane has a molecular weight of 198.35 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,5,6-tetramethyloxane is sourced from PubChem (CID 20707638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).