ethane-1,2-diol;tetramethylazanium

C6H18NO2+ — CID 172788906

IUPACethane-1,2-diol;tetramethylazanium
SMILESC[N+](C)(C)C.OCCO
InChIInChI=1S/C4H12N.C2H6O2/c1-5(2,3)4;3-1-2-4/h1-4H3;3-4H,1-2H2/q+1;
InChIKeyPHCQOPNZKQCPLV-UHFFFAOYSA-N
MW136.21 g/mol
LogP-0.71
Rot. Bonds1

About ethane-1,2-diol;tetramethylazanium

ethane-1,2-diol;tetramethylazanium (PubChem CID 172788906) has the molecular formula C6H18NO2+ and a molecular weight of 136.21 g/mol. Its IUPAC name is ethane-1,2-diol;tetramethylazanium.

Molecular Properties

Compound Nameethane-1,2-diol;tetramethylazanium
PubChem CID172788906
Molecular FormulaC6H18NO2+
Molecular Weight136.21 g/mol
Exact Mass136.13
IUPAC Nameethane-1,2-diol;tetramethylazanium
SMILESC[N+](C)(C)C.OCCO
InChIInChI=1S/C4H12N.C2H6O2/c1-5(2,3)4;3-1-2-4/h1-4H3;3-4H,1-2H2/q+1;
InChIKeyPHCQOPNZKQCPLV-UHFFFAOYSA-N
XLogP-0.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diol;methanethiol
CID 174955680
Ethylene glycol monosodium salt
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ethane-1,2-diol;tetrahydrochloride
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ethane-1,2-diol;silane
CID 159802659
ethane-1,2-diol;dihydrochloride
CID 88711440
ethane-1,2-diol;palladium(2+)
CID 175783555
ethane-1,2-diol;titanium(4+)
CID 21124602
ethane-1,2-diol;rhenium
CID 175749522
CID 87524640
CID 87524640
ethane-1,2-diol;trihydrochloride
CID 172793976
tetra((113C)methyl)azanium
CID 171381348
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CID 86628599

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;tetramethylazanium?
The IUPAC name of ethane-1,2-diol;tetramethylazanium (CID 172788906) is ethane-1,2-diol;tetramethylazanium.
What is the SMILES notation for ethane-1,2-diol;tetramethylazanium?
The canonical SMILES for ethane-1,2-diol;tetramethylazanium is C[N+](C)(C)C.OCCO.
What is the InChIKey of ethane-1,2-diol;tetramethylazanium?
The InChIKey is PHCQOPNZKQCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C2H6O2/c1-5(2,3)4;3-1-2-4/h1-4H3;3-4H,1-2H2/q+1;.
What are the key properties of ethane-1,2-diol;tetramethylazanium?
ethane-1,2-diol;tetramethylazanium has a molecular weight of 136.21 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;tetramethylazanium is sourced from PubChem (CID 172788906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).