2,6-diethyl-2,3,4,5-tetramethyloxane

C13H26O — CID 18729309

IUPAC2,6-diethyl-2,3,4,5-tetramethyloxane
SMILESCCC1OC(C)(CC)C(C)C(C)C1C
InChIInChI=1S/C13H26O/c1-7-12-10(4)9(3)11(5)13(6,8-2)14-12/h9-12H,7-8H2,1-6H3
InChIKeyYVCGUZLPMMGUFE-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.87
Rot. Bonds2

About 2,6-diethyl-2,3,4,5-tetramethyloxane

2,6-diethyl-2,3,4,5-tetramethyloxane (PubChem CID 18729309) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,6-diethyl-2,3,4,5-tetramethyloxane.

Molecular Properties

Compound Name2,6-diethyl-2,3,4,5-tetramethyloxane
PubChem CID18729309
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2,6-diethyl-2,3,4,5-tetramethyloxane
SMILESCCC1OC(C)(CC)C(C)C(C)C1C
InChIInChI=1S/C13H26O/c1-7-12-10(4)9(3)11(5)13(6,8-2)14-12/h9-12H,7-8H2,1-6H3
InChIKeyYVCGUZLPMMGUFE-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-2,3,4,5-tetramethyloxane?
The IUPAC name of 2,6-diethyl-2,3,4,5-tetramethyloxane (CID 18729309) is 2,6-diethyl-2,3,4,5-tetramethyloxane.
What is the SMILES notation for 2,6-diethyl-2,3,4,5-tetramethyloxane?
The canonical SMILES for 2,6-diethyl-2,3,4,5-tetramethyloxane is CCC1OC(C)(CC)C(C)C(C)C1C.
What is the InChIKey of 2,6-diethyl-2,3,4,5-tetramethyloxane?
The InChIKey is YVCGUZLPMMGUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-7-12-10(4)9(3)11(5)13(6,8-2)14-12/h9-12H,7-8H2,1-6H3.
What are the key properties of 2,6-diethyl-2,3,4,5-tetramethyloxane?
2,6-diethyl-2,3,4,5-tetramethyloxane has a molecular weight of 198.35 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2,3,4,5-tetramethyloxane is sourced from PubChem (CID 18729309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).