2,2,6,6-Tetramethyloxane

C9H18O — CID 12593435

IUPAC2,2,6,6-tetramethyloxane
SMILESCC1(CCCC(O1)(C)C)C
InChIInChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10-8/h5-7H2,1-4H3
InChIKeyXNOGONRNEMKHIO-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.40
Rot. Bonds

About 2,2,6,6-Tetramethyloxane

2,2,6,6-Tetramethyloxane (PubChem CID 12593435) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,2,6,6-tetramethyloxane.

Molecular Properties

Compound Name2,2,6,6-Tetramethyloxane
PubChem CID12593435
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,2,6,6-tetramethyloxane
SMILESCC1(CCCC(O1)(C)C)C
InChIInChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10-8/h5-7H2,1-4H3
InChIKeyXNOGONRNEMKHIO-UHFFFAOYSA-N
XLogP2.40
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity111

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-
CID 114570
Tetrahydro-2,2,6-trimethyl-2H-pyran
CID 122554
2-Ethyl-2,6,6-trimethyloxane
CID 2750796
(6S)-2,2,6-trimethyloxane
CID 92288138
2-Dodecyl-2,6,6-trimethyloxane
CID 134843954
(2S)-2-ethynyl-2,6,6-trimethyloxane
CID 6580321
Pnkosumbmgvbpo-ssdottswsa-
CID 21680006
2,2,5-Trimethyloxane
CID 12541918
2,2-Diethyloxane
CID 15620795
2-Ethoxy-2,6-dimethylheptane
CID 19835725
2,2,6,6-Tetraethyloxane
CID 20134312
2-Heptyl-2-methyloxane
CID 20300782

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-Tetramethyloxane?
The IUPAC name of 2,2,6,6-Tetramethyloxane (CID 12593435) is 2,2,6,6-tetramethyloxane.
What is the SMILES notation for 2,2,6,6-Tetramethyloxane?
The canonical SMILES for 2,2,6,6-Tetramethyloxane is CC1(CCCC(O1)(C)C)C.
What is the InChIKey of 2,2,6,6-Tetramethyloxane?
The InChIKey is XNOGONRNEMKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10-8/h5-7H2,1-4H3.
What are the key properties of 2,2,6,6-Tetramethyloxane?
2,2,6,6-Tetramethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-Tetramethyloxane is sourced from PubChem (CID 12593435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).