azane;6-methylheptan-1-ol;sulfuric acid

C8H23NO5S — CID 174550383

IUPACazane;6-methylheptan-1-ol;sulfuric acid
SMILESCC(C)CCCCCO.N.O=S(=O)(O)O
InChIInChI=1S/C8H18O.H3N.H2O4S/c1-8(2)6-4-3-5-7-9;;1-5(2,3)4/h8-9H,3-7H2,1-2H3;1H3;(H2,1,2,3,4)
InChIKeyIQUWQNWVNZKIJB-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.70
Rot. Bonds5

About azane;6-methylheptan-1-ol;sulfuric acid

azane;6-methylheptan-1-ol;sulfuric acid (PubChem CID 174550383) has the molecular formula C8H23NO5S and a molecular weight of 245.34 g/mol. Its IUPAC name is azane;6-methylheptan-1-ol;sulfuric acid.

Molecular Properties

Compound Nameazane;6-methylheptan-1-ol;sulfuric acid
PubChem CID174550383
Molecular FormulaC8H23NO5S
Molecular Weight245.34 g/mol
Exact Mass245.13
IUPAC Nameazane;6-methylheptan-1-ol;sulfuric acid
SMILESCC(C)CCCCCO.N.O=S(=O)(O)O
InChIInChI=1S/C8H18O.H3N.H2O4S/c1-8(2)6-4-3-5-7-9;;1-5(2,3)4/h8-9H,3-7H2,1-2H3;1H3;(H2,1,2,3,4)
InChIKeyIQUWQNWVNZKIJB-UHFFFAOYSA-N
XLogP1.70
TPSA129.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

alumane;6-methylheptan-1-ol
CID 174615736
16-methylheptadecan-1-ol;titanium
CID 151630620
CID 172760633
CID 172760633
sodium;hydride;8-methylnonan-1-ol
CID 175362951
(14-hydroxy-2-methyltetradecan-6-yl) hydrogen sulfate
CID 153296853
6-methylheptan-1-ol;phosphoric acid
CID 138394969
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
CID 6335748
CID 6335748
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
CID 175523353
tris(5-methylhexan-1-ol);titanium;dihydrate
CID 175523388
6-methylheptan-1-ol;phosphoric acid;zirconium
CID 174855290

Frequently Asked Questions

What is the IUPAC name of azane;6-methylheptan-1-ol;sulfuric acid?
The IUPAC name of azane;6-methylheptan-1-ol;sulfuric acid (CID 174550383) is azane;6-methylheptan-1-ol;sulfuric acid.
What is the SMILES notation for azane;6-methylheptan-1-ol;sulfuric acid?
The canonical SMILES for azane;6-methylheptan-1-ol;sulfuric acid is CC(C)CCCCCO.N.O=S(=O)(O)O.
What is the InChIKey of azane;6-methylheptan-1-ol;sulfuric acid?
The InChIKey is IQUWQNWVNZKIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.H3N.H2O4S/c1-8(2)6-4-3-5-7-9;;1-5(2,3)4/h8-9H,3-7H2,1-2H3;1H3;(H2,1,2,3,4).
What are the key properties of azane;6-methylheptan-1-ol;sulfuric acid?
azane;6-methylheptan-1-ol;sulfuric acid has a molecular weight of 245.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-methylheptan-1-ol;sulfuric acid is sourced from PubChem (CID 174550383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).