azane;ethanesulfonic acid;trioctylphosphane

C26H60NO3PS — CID 174735782

IUPACazane;ethanesulfonic acid;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.CCS(=O)(=O)O.N
InChIInChI=1S/C24H51P.C2H6O3S.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;1-2-6(3,4)5;/h4-24H2,1-3H3;2H2,1H3,(H,3,4,5);1H3
InChIKeyBSXCZAAZKCSZPE-UHFFFAOYSA-N
MW497.81 g/mol
LogP9.61
Rot. Bonds22

About azane;ethanesulfonic acid;trioctylphosphane

azane;ethanesulfonic acid;trioctylphosphane (PubChem CID 174735782) has the molecular formula C26H60NO3PS and a molecular weight of 497.81 g/mol. Its IUPAC name is azane;ethanesulfonic acid;trioctylphosphane.

Molecular Properties

Compound Nameazane;ethanesulfonic acid;trioctylphosphane
PubChem CID174735782
Molecular FormulaC26H60NO3PS
Molecular Weight497.81 g/mol
Exact Mass497.40
IUPAC Nameazane;ethanesulfonic acid;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.CCS(=O)(=O)O.N
InChIInChI=1S/C24H51P.C2H6O3S.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;1-2-6(3,4)5;/h4-24H2,1-3H3;2H2,1H3,(H,3,4,5);1H3
InChIKeyBSXCZAAZKCSZPE-UHFFFAOYSA-N
XLogP9.61
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 59.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;methyl hydrogen sulfate;trioctylphosphane
CID 174431747
azane;trioctylphosphane;hydrobromide
CID 174675093
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
carbonic acid;trioctylphosphane
CID 174362126
bismuthane;trioctylphosphane
CID 174398286
dibutyl(decyl)phosphane
CID 171559269
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
tris(trioctylphosphane);tungsten
CID 158972203
dibutyl(tetradecyl)phosphane
CID 118319275

Frequently Asked Questions

What is the IUPAC name of azane;ethanesulfonic acid;trioctylphosphane?
The IUPAC name of azane;ethanesulfonic acid;trioctylphosphane (CID 174735782) is azane;ethanesulfonic acid;trioctylphosphane.
What is the SMILES notation for azane;ethanesulfonic acid;trioctylphosphane?
The canonical SMILES for azane;ethanesulfonic acid;trioctylphosphane is CCCCCCCCP(CCCCCCCC)CCCCCCCC.CCS(=O)(=O)O.N.
What is the InChIKey of azane;ethanesulfonic acid;trioctylphosphane?
The InChIKey is BSXCZAAZKCSZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.C2H6O3S.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;1-2-6(3,4)5;/h4-24H2,1-3H3;2H2,1H3,(H,3,4,5);1H3.
What are the key properties of azane;ethanesulfonic acid;trioctylphosphane?
azane;ethanesulfonic acid;trioctylphosphane has a molecular weight of 497.81 g/mol, XLogP of 9.61, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanesulfonic acid;trioctylphosphane is sourced from PubChem (CID 174735782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).