2-ethyl-2,6,6-trimethyloxane

C10H20O — CID 2750796

IUPAC2-ethyl-2,6,6-trimethyloxane
SMILESCCC1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H20O/c1-5-10(4)8-6-7-9(2,3)11-10/h5-8H2,1-4H3
InChIKeyJDKRLJFUBFYERJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.13
Rot. Bonds1

About 2-ethyl-2,6,6-trimethyloxane

2-ethyl-2,6,6-trimethyloxane (PubChem CID 2750796) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-ethyl-2,6,6-trimethyloxane.

Molecular Properties

Compound Name2-ethyl-2,6,6-trimethyloxane
PubChem CID2750796
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-ethyl-2,6,6-trimethyloxane
SMILESCCC1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H20O/c1-5-10(4)8-6-7-9(2,3)11-10/h5-8H2,1-4H3
InChIKeyJDKRLJFUBFYERJ-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
Cyclododecane, 1-methoxy-1-methyl-
CID 161949
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
2,2,6,6-Tetramethyloxane
CID 12593435
2-Methoxy-2,6-di-methyloctane
CID 20647243
1-Oxaspiro(5.6)dodecane
CID 96632218
2,2,6,6-Tetramethyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
CID 141389871
4-Methyl-1-oxaspiro[5.5]undecane
CID 3764775
1,5-Dimethyl-8-oxabicyclo[3.2.1]octane
CID 85185491
2,2,3-Trimethyl-6-propyltetra-hydropyran
CID 129788753
2-Dodecyl-2,6,6-trimethyloxane
CID 134843954
(2R)-2-decyl-2-methyloxane
CID 155934446

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6,6-trimethyloxane?
The IUPAC name of 2-ethyl-2,6,6-trimethyloxane (CID 2750796) is 2-ethyl-2,6,6-trimethyloxane.
What is the SMILES notation for 2-ethyl-2,6,6-trimethyloxane?
The canonical SMILES for 2-ethyl-2,6,6-trimethyloxane is CCC1(C)CCCC(C)(C)O1.
What is the InChIKey of 2-ethyl-2,6,6-trimethyloxane?
The InChIKey is JDKRLJFUBFYERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-10(4)8-6-7-9(2,3)11-10/h5-8H2,1-4H3.
What are the key properties of 2-ethyl-2,6,6-trimethyloxane?
2-ethyl-2,6,6-trimethyloxane has a molecular weight of 156.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6,6-trimethyloxane is sourced from PubChem (CID 2750796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).