tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid

C20H54O9P4S3 — CID 173418851

IUPACtris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid
SMILESC#CP.CCP(C)CC.CCP(C)CC.CCP(C)CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/3C5H13P.C2H3P.3CH4O3S/c3*1-4-6(3)5-2;1-2-3;3*1-5(2,3)4/h3*4-5H2,1-3H3;1H,3H2;3*1H3,(H,2,3,4)
InChIKeyYUWQBMOZXKAFAV-UHFFFAOYSA-N
MW658.74 g/mol
LogP5.38
Rot. Bonds6

About tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid

tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid (PubChem CID 173418851) has the molecular formula C20H54O9P4S3 and a molecular weight of 658.74 g/mol. Its IUPAC name is tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid.

Molecular Properties

Compound Nametris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid
PubChem CID173418851
Molecular FormulaC20H54O9P4S3
Molecular Weight658.74 g/mol
Exact Mass658.19
IUPAC Nametris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid
SMILESC#CP.CCP(C)CC.CCP(C)CC.CCP(C)CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/3C5H13P.C2H3P.3CH4O3S/c3*1-4-6(3)5-2;1-2-3;3*1-5(2,3)4/h3*4-5H2,1-3H3;1H,3H2;3*1H3,(H,2,3,4)
InChIKeyYUWQBMOZXKAFAV-UHFFFAOYSA-N
XLogP5.38
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.74
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
dichloromethane;methanesulfonic acid
CID 22465915
alumane;methanesulfonic acid;hydrofluoride
CID 174812209
sodium;methanesulfonic acid;iodide
CID 87541742
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065

Frequently Asked Questions

What is the IUPAC name of tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid?
The IUPAC name of tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid (CID 173418851) is tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid.
What is the SMILES notation for tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid?
The canonical SMILES for tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid is C#CP.CCP(C)CC.CCP(C)CC.CCP(C)CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.
What is the InChIKey of tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid?
The InChIKey is YUWQBMOZXKAFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H13P.C2H3P.3CH4O3S/c3*1-4-6(3)5-2;1-2-3;3*1-5(2,3)4/h3*4-5H2,1-3H3;1H,3H2;3*1H3,(H,2,3,4).
What are the key properties of tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid?
tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid has a molecular weight of 658.74 g/mol, XLogP of 5.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethyl(methyl)phosphane);ethynylphosphane;methanesulfonic acid is sourced from PubChem (CID 173418851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).