azane;4-methylhexadecane;sulfuric acid

C17H41NO4S — CID 174730502

IUPACazane;4-methylhexadecane;sulfuric acid
SMILESCCCCCCCCCCCCC(C)CCC.N.O=S(=O)(O)O
InChIInChI=1S/C17H36.H3N.H2O4S/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2;;1-5(2,3)4/h17H,4-16H2,1-3H3;1H3;(H2,1,2,3,4)
InChIKeyGHGJIZKNOGCAOB-UHFFFAOYSA-N
MW355.59 g/mol
LogP6.24
Rot. Bonds13

About azane;4-methylhexadecane;sulfuric acid

azane;4-methylhexadecane;sulfuric acid (PubChem CID 174730502) has the molecular formula C17H41NO4S and a molecular weight of 355.59 g/mol. Its IUPAC name is azane;4-methylhexadecane;sulfuric acid.

Molecular Properties

Compound Nameazane;4-methylhexadecane;sulfuric acid
PubChem CID174730502
Molecular FormulaC17H41NO4S
Molecular Weight355.59 g/mol
Exact Mass355.28
IUPAC Nameazane;4-methylhexadecane;sulfuric acid
SMILESCCCCCCCCCCCCC(C)CCC.N.O=S(=O)(O)O
InChIInChI=1S/C17H36.H3N.H2O4S/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2;;1-5(2,3)4/h17H,4-16H2,1-3H3;1H3;(H2,1,2,3,4)
InChIKeyGHGJIZKNOGCAOB-UHFFFAOYSA-N
XLogP6.24
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.59
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-methyldodecan-1-ol;sulfuric acid
CID 87950603
11-methylhexadecan-1-ol;sulfuric acid
CID 87591913
10-methylhexadecan-1-ol;sulfuric acid
CID 87592711
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
(4R)-4-methyldecane
CID 57191620
4-methyltritriacontane
CID 71346224
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
2,6-dimethyldodecan-1-ol;sulfuric acid
CID 87950586
4,8,14-trimethyltetratriacontane
CID 6431076

Frequently Asked Questions

What is the IUPAC name of azane;4-methylhexadecane;sulfuric acid?
The IUPAC name of azane;4-methylhexadecane;sulfuric acid (CID 174730502) is azane;4-methylhexadecane;sulfuric acid.
What is the SMILES notation for azane;4-methylhexadecane;sulfuric acid?
The canonical SMILES for azane;4-methylhexadecane;sulfuric acid is CCCCCCCCCCCCC(C)CCC.N.O=S(=O)(O)O.
What is the InChIKey of azane;4-methylhexadecane;sulfuric acid?
The InChIKey is GHGJIZKNOGCAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.H3N.H2O4S/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2;;1-5(2,3)4/h17H,4-16H2,1-3H3;1H3;(H2,1,2,3,4).
What are the key properties of azane;4-methylhexadecane;sulfuric acid?
azane;4-methylhexadecane;sulfuric acid has a molecular weight of 355.59 g/mol, XLogP of 6.24, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-methylhexadecane;sulfuric acid is sourced from PubChem (CID 174730502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).