6-(methylazaniumyl)hexan-1-olate

C7H17NO — CID 101435332

IUPAC6-(methylazaniumyl)hexan-1-olate
SMILESC[NH2+]CCCCCC[O-]
InChIInChI=1S/C7H16NO/c1-8-6-4-2-3-5-7-9/h8H,2-7H2,1H3/q-1/p+1
InChIKeySLEVQRGSISMHJW-UHFFFAOYSA-O
MW131.22 g/mol
LogP-0.90
Rot. Bonds6

About 6-(methylazaniumyl)hexan-1-olate

6-(methylazaniumyl)hexan-1-olate (PubChem CID 101435332) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 6-(methylazaniumyl)hexan-1-olate.

Molecular Properties

Compound Name6-(methylazaniumyl)hexan-1-olate
PubChem CID101435332
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name6-(methylazaniumyl)hexan-1-olate
SMILESC[NH2+]CCCCCC[O-]
InChIInChI=1S/C7H16NO/c1-8-6-4-2-3-5-7-9/h8H,2-7H2,1H3/q-1/p+1
InChIKeySLEVQRGSISMHJW-UHFFFAOYSA-O
XLogP-0.90
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

calcium pentane-1,5-diolate
CID 141408075
methyl(tridecyl)azanium sulfate
CID 138754430
dodecyl(methyl)azanium nitrate
CID 161374202
calcium bis(decan-1-olate)
CID 141290490
3-azaniumylpropyl(methyl)azanium
CID 6992742
barium(2+);bis(octadecan-1-olate)
CID 23324389
magnesium decan-1-olate
CID 3015949
sodium octadecan-1-olate
CID 23689332
calcium bis(octan-1-olate)
CID 87749670
methyl(tridecyl)azanium;pentanoate
CID 87857166
magnesium;butan-1-olate;octan-1-olate
CID 24942472
butyl(methyl)azanium nitrate
CID 134897425

Frequently Asked Questions

What is the IUPAC name of 6-(methylazaniumyl)hexan-1-olate?
The IUPAC name of 6-(methylazaniumyl)hexan-1-olate (CID 101435332) is 6-(methylazaniumyl)hexan-1-olate.
What is the SMILES notation for 6-(methylazaniumyl)hexan-1-olate?
The canonical SMILES for 6-(methylazaniumyl)hexan-1-olate is C[NH2+]CCCCCC[O-].
What is the InChIKey of 6-(methylazaniumyl)hexan-1-olate?
The InChIKey is SLEVQRGSISMHJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16NO/c1-8-6-4-2-3-5-7-9/h8H,2-7H2,1H3/q-1/p+1.
What are the key properties of 6-(methylazaniumyl)hexan-1-olate?
6-(methylazaniumyl)hexan-1-olate has a molecular weight of 131.22 g/mol, XLogP of -0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylazaniumyl)hexan-1-olate is sourced from PubChem (CID 101435332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).