azane;methyl hydrogen sulfate;trioctylphosphane

C25H58NO4PS — CID 174431747

IUPACazane;methyl hydrogen sulfate;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.COS(=O)(=O)O.N
InChIInChI=1S/C24H51P.CH4O4S.H3N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-5-6(2,3)4;/h4-24H2,1-3H3;1H3,(H,2,3,4);1H3
InChIKeyNFYUNNROMDAJSK-UHFFFAOYSA-N
MW499.78 g/mol
LogP9.15
Rot. Bonds22

About azane;methyl hydrogen sulfate;trioctylphosphane

azane;methyl hydrogen sulfate;trioctylphosphane (PubChem CID 174431747) has the molecular formula C25H58NO4PS and a molecular weight of 499.78 g/mol. Its IUPAC name is azane;methyl hydrogen sulfate;trioctylphosphane.

Molecular Properties

Compound Nameazane;methyl hydrogen sulfate;trioctylphosphane
PubChem CID174431747
Molecular FormulaC25H58NO4PS
Molecular Weight499.78 g/mol
Exact Mass499.38
IUPAC Nameazane;methyl hydrogen sulfate;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.COS(=O)(=O)O.N
InChIInChI=1S/C24H51P.CH4O4S.H3N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-5-6(2,3)4;/h4-24H2,1-3H3;1H3,(H,2,3,4);1H3
InChIKeyNFYUNNROMDAJSK-UHFFFAOYSA-N
XLogP9.15
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.78
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;ethanesulfonic acid;trioctylphosphane
CID 174735782
methyl hydrogen sulfate;octadecan-1-amine
CID 173395931
azane;trioctylphosphane;hydrobromide
CID 174675093
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
methyl hydrogen sulfate;N-methyltetradecan-1-amine
CID 173229192
carbonic acid;trioctylphosphane
CID 174362126
diethyl-hexadecyl-hydroxyazanium;methyl hydrogen sulfate
CID 174876687
methyl hydrogen sulfate;pentan-1-amine
CID 173267345
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
bismuthane;trioctylphosphane
CID 174398286

Frequently Asked Questions

What is the IUPAC name of azane;methyl hydrogen sulfate;trioctylphosphane?
The IUPAC name of azane;methyl hydrogen sulfate;trioctylphosphane (CID 174431747) is azane;methyl hydrogen sulfate;trioctylphosphane.
What is the SMILES notation for azane;methyl hydrogen sulfate;trioctylphosphane?
The canonical SMILES for azane;methyl hydrogen sulfate;trioctylphosphane is CCCCCCCCP(CCCCCCCC)CCCCCCCC.COS(=O)(=O)O.N.
What is the InChIKey of azane;methyl hydrogen sulfate;trioctylphosphane?
The InChIKey is NFYUNNROMDAJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.CH4O4S.H3N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-5-6(2,3)4;/h4-24H2,1-3H3;1H3,(H,2,3,4);1H3.
What are the key properties of azane;methyl hydrogen sulfate;trioctylphosphane?
azane;methyl hydrogen sulfate;trioctylphosphane has a molecular weight of 499.78 g/mol, XLogP of 9.15, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl hydrogen sulfate;trioctylphosphane is sourced from PubChem (CID 174431747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).