2,2,6,6-tetramethyloxane;hydrochloride

C9H19ClO — CID 142494360

IUPAC2,2,6,6-tetramethyloxane;hydrochloride
SMILESCC1(C)CCCC(C)(C)O1.Cl
InChIInChI=1S/C9H18O.ClH/c1-8(2)6-5-7-9(3,4)10-8;/h5-7H2,1-4H3;1H
InChIKeyGKRFGZKUNDMSBB-UHFFFAOYSA-N
MW178.70 g/mol
LogP3.17
Rot. Bonds

About 2,2,6,6-tetramethyloxane;hydrochloride

2,2,6,6-tetramethyloxane;hydrochloride (PubChem CID 142494360) has the molecular formula C9H19ClO and a molecular weight of 178.70 g/mol. Its IUPAC name is 2,2,6,6-tetramethyloxane;hydrochloride.

Molecular Properties

Compound Name2,2,6,6-tetramethyloxane;hydrochloride
PubChem CID142494360
Molecular FormulaC9H19ClO
Molecular Weight178.70 g/mol
Exact Mass178.11
IUPAC Name2,2,6,6-tetramethyloxane;hydrochloride
SMILESCC1(C)CCCC(C)(C)O1.Cl
InChIInChI=1S/C9H18O.ClH/c1-8(2)6-5-7-9(3,4)10-8;/h5-7H2,1-4H3;1H
InChIKeyGKRFGZKUNDMSBB-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.70
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyloxane;hydrochloride?
The IUPAC name of 2,2,6,6-tetramethyloxane;hydrochloride (CID 142494360) is 2,2,6,6-tetramethyloxane;hydrochloride.
What is the SMILES notation for 2,2,6,6-tetramethyloxane;hydrochloride?
The canonical SMILES for 2,2,6,6-tetramethyloxane;hydrochloride is CC1(C)CCCC(C)(C)O1.Cl.
What is the InChIKey of 2,2,6,6-tetramethyloxane;hydrochloride?
The InChIKey is GKRFGZKUNDMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.ClH/c1-8(2)6-5-7-9(3,4)10-8;/h5-7H2,1-4H3;1H.
What are the key properties of 2,2,6,6-tetramethyloxane;hydrochloride?
2,2,6,6-tetramethyloxane;hydrochloride has a molecular weight of 178.70 g/mol, XLogP of 3.17, 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;hydrochloride is sourced from PubChem (CID 142494360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).