2,6-diethyl-2-methyl-5-propan-2-yloxane

C13H26O — CID 45274957

IUPAC2,6-diethyl-2-methyl-5-propan-2-yloxane
SMILESCCC1OC(C)(CC)CCC1C(C)C
InChIInChI=1S/C13H26O/c1-6-12-11(10(3)4)8-9-13(5,7-2)14-12/h10-12H,6-9H2,1-5H3
InChIKeyPSBALWGXLHHTHS-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds3

About 2,6-diethyl-2-methyl-5-propan-2-yloxane

2,6-diethyl-2-methyl-5-propan-2-yloxane (PubChem CID 45274957) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,6-diethyl-2-methyl-5-propan-2-yloxane.

Molecular Properties

Compound Name2,6-diethyl-2-methyl-5-propan-2-yloxane
PubChem CID45274957
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2,6-diethyl-2-methyl-5-propan-2-yloxane
SMILESCCC1OC(C)(CC)CCC1C(C)C
InChIInChI=1S/C13H26O/c1-6-12-11(10(3)4)8-9-13(5,7-2)14-12/h10-12H,6-9H2,1-5H3
InChIKeyPSBALWGXLHHTHS-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
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-methyl-5-propan-2-yloxane?
The IUPAC name of 2,6-diethyl-2-methyl-5-propan-2-yloxane (CID 45274957) is 2,6-diethyl-2-methyl-5-propan-2-yloxane.
What is the SMILES notation for 2,6-diethyl-2-methyl-5-propan-2-yloxane?
The canonical SMILES for 2,6-diethyl-2-methyl-5-propan-2-yloxane is CCC1OC(C)(CC)CCC1C(C)C.
What is the InChIKey of 2,6-diethyl-2-methyl-5-propan-2-yloxane?
The InChIKey is PSBALWGXLHHTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-12-11(10(3)4)8-9-13(5,7-2)14-12/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,6-diethyl-2-methyl-5-propan-2-yloxane?
2,6-diethyl-2-methyl-5-propan-2-yloxane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2-methyl-5-propan-2-yloxane is sourced from PubChem (CID 45274957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).