2,3,4,6-tetramethyloxane

C9H18O — CID 20816370

IUPAC2,3,4,6-tetramethyloxane
SMILESCC1CC(C)C(C)C(C)O1
InChIInChI=1S/C9H18O/c1-6-5-7(2)10-9(4)8(6)3/h6-9H,5H2,1-4H3
InChIKeyZHZYTXSSPUQACZ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds

About 2,3,4,6-tetramethyloxane

2,3,4,6-tetramethyloxane (PubChem CID 20816370) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,3,4,6-tetramethyloxane.

Molecular Properties

Compound Name2,3,4,6-tetramethyloxane
PubChem CID20816370
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,3,4,6-tetramethyloxane
SMILESCC1CC(C)C(C)C(C)O1
InChIInChI=1S/C9H18O/c1-6-5-7(2)10-9(4)8(6)3/h6-9H,5H2,1-4H3
InChIKeyZHZYTXSSPUQACZ-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825
(2S,3R)-2,4,6-trimethyloxan-3-ol
CID 142458613
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
CID 58651620
(3S,4R,6R)-3,4,6-trimethyl-2-(2-methylpropyl)oxane
CID 153093086
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
2,5-dimethyl-3-propan-2-yloxolane
CID 164557696
(2R,3S)-2,3,6-trimethyloxane
CID 142924826
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
CID 171816838
[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
CID 163654714
(5R)-2,3,4,5,6-pentamethyloxane
CID 59269885
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethyloxane?
The IUPAC name of 2,3,4,6-tetramethyloxane (CID 20816370) is 2,3,4,6-tetramethyloxane.
What is the SMILES notation for 2,3,4,6-tetramethyloxane?
The canonical SMILES for 2,3,4,6-tetramethyloxane is CC1CC(C)C(C)C(C)O1.
What is the InChIKey of 2,3,4,6-tetramethyloxane?
The InChIKey is ZHZYTXSSPUQACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-5-7(2)10-9(4)8(6)3/h6-9H,5H2,1-4H3.
What are the key properties of 2,3,4,6-tetramethyloxane?
2,3,4,6-tetramethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethyloxane is sourced from PubChem (CID 20816370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).