hexan-1-ol;tetraethylazanium;hydroxide

C14H35NO2 — CID 175514121

IUPAChexan-1-ol;tetraethylazanium;hydroxide
SMILESCCCCCCO.CC[N+](CC)(CC)CC.[OH-]
InChIInChI=1S/C8H20N.C6H14O.H2O/c1-5-9(6-2,7-3)8-4;1-2-3-4-5-6-7;/h5-8H2,1-4H3;7H,2-6H2,1H3;1H2/q+1;;/p-1
InChIKeyRFICKHTXUKOZDH-UHFFFAOYSA-M
MW249.44 g/mol
LogP3.27
Rot. Bonds8

About hexan-1-ol;tetraethylazanium;hydroxide

hexan-1-ol;tetraethylazanium;hydroxide (PubChem CID 175514121) has the molecular formula C14H35NO2 and a molecular weight of 249.44 g/mol. Its IUPAC name is hexan-1-ol;tetraethylazanium;hydroxide.

Molecular Properties

Compound Namehexan-1-ol;tetraethylazanium;hydroxide
PubChem CID175514121
Molecular FormulaC14H35NO2
Molecular Weight249.44 g/mol
Exact Mass249.27
IUPAC Namehexan-1-ol;tetraethylazanium;hydroxide
SMILESCCCCCCO.CC[N+](CC)(CC)CC.[OH-]
InChIInChI=1S/C8H20N.C6H14O.H2O/c1-5-9(6-2,7-3)8-4;1-2-3-4-5-6-7;/h5-8H2,1-4H3;7H,2-6H2,1H3;1H2/q+1;;/p-1
InChIKeyRFICKHTXUKOZDH-UHFFFAOYSA-M
XLogP3.27
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87750430
CID 87750430
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
undecan-1-ol
CID 122455065
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of hexan-1-ol;tetraethylazanium;hydroxide?
The IUPAC name of hexan-1-ol;tetraethylazanium;hydroxide (CID 175514121) is hexan-1-ol;tetraethylazanium;hydroxide.
What is the SMILES notation for hexan-1-ol;tetraethylazanium;hydroxide?
The canonical SMILES for hexan-1-ol;tetraethylazanium;hydroxide is CCCCCCO.CC[N+](CC)(CC)CC.[OH-].
What is the InChIKey of hexan-1-ol;tetraethylazanium;hydroxide?
The InChIKey is RFICKHTXUKOZDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C6H14O.H2O/c1-5-9(6-2,7-3)8-4;1-2-3-4-5-6-7;/h5-8H2,1-4H3;7H,2-6H2,1H3;1H2/q+1;;/p-1.
What are the key properties of hexan-1-ol;tetraethylazanium;hydroxide?
hexan-1-ol;tetraethylazanium;hydroxide has a molecular weight of 249.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;tetraethylazanium;hydroxide is sourced from PubChem (CID 175514121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).