cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid

C58H102O12P6 — CID 158568610

IUPACcyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid
SMILESCCCCCCP(=O)(O)C1CCCCC1.CCCCP(=O)(O)CCCC.CP(C)(=O)O.O=P(O)(C1CCCCC1)C1CCCCC1.O=P(O)(c1ccccc1)C1CCCCC1.O=P(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H23O2P.C12H17O2P.C12H11O2P.C12H25O2P.C8H19O2P.C2H7O2P/c3*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12;1-3-5-7-11(9,10)8-6-4-2;1-5(2,3)4/h11-12H,1-10H2,(H,13,14);1,3-4,7-8,12H,2,5-6,9-10H2,(H,13,14);1-10H,(H,13,14);12H,2-11H2,1H3,(H,13,14);3-8H2,1-2H3,(H,9,10);1-2H3,(H,3,4)
InChIKeyHRUKEZASYQIZGQ-UHFFFAOYSA-N
MW1177.29 g/mol
LogP16.29
Rot. Bonds18

About cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid

cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid (PubChem CID 158568610) has the molecular formula C58H102O12P6 and a molecular weight of 1177.29 g/mol. Its IUPAC name is cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid.

Molecular Properties

Compound Namecyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid
PubChem CID158568610
Molecular FormulaC58H102O12P6
Molecular Weight1177.29 g/mol
Exact Mass1176.58
IUPAC Namecyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid
SMILESCCCCCCP(=O)(O)C1CCCCC1.CCCCP(=O)(O)CCCC.CP(C)(=O)O.O=P(O)(C1CCCCC1)C1CCCCC1.O=P(O)(c1ccccc1)C1CCCCC1.O=P(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H23O2P.C12H17O2P.C12H11O2P.C12H25O2P.C8H19O2P.C2H7O2P/c3*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12;1-3-5-7-11(9,10)8-6-4-2;1-5(2,3)4/h11-12H,1-10H2,(H,13,14);1,3-4,7-8,12H,2,5-6,9-10H2,(H,13,14);1-10H,(H,13,14);12H,2-11H2,1H3,(H,13,14);3-8H2,1-2H3,(H,9,10);1-2H3,(H,3,4)
InChIKeyHRUKEZASYQIZGQ-UHFFFAOYSA-N
XLogP16.29
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.29
LogP ≤ 516.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
butylsulfanyl-cyclohexyl-phenyl-sulfanylidene-λ5-phosphane
CID 21391655
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183286
butyl(2-cyclopentylethyl)phosphinic acid
CID 134348808
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
sodium (2-cyclohexylphenoxy)-dodecylphosphinate
CID 23713210
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
didodecyl-methylidene-phenyl-λ5-phosphane
CID 139749154

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid?
The IUPAC name of cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid (CID 158568610) is cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid.
What is the SMILES notation for cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid?
The canonical SMILES for cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid is CCCCCCP(=O)(O)C1CCCCC1.CCCCP(=O)(O)CCCC.CP(C)(=O)O.O=P(O)(C1CCCCC1)C1CCCCC1.O=P(O)(c1ccccc1)C1CCCCC1.O=P(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid?
The InChIKey is HRUKEZASYQIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O2P.C12H17O2P.C12H11O2P.C12H25O2P.C8H19O2P.C2H7O2P/c3*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12;1-3-5-7-11(9,10)8-6-4-2;1-5(2,3)4/h11-12H,1-10H2,(H,13,14);1,3-4,7-8,12H,2,5-6,9-10H2,(H,13,14);1-10H,(H,13,14);12H,2-11H2,1H3,(H,13,14);3-8H2,1-2H3,(H,9,10);1-2H3,(H,3,4).
What are the key properties of cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid?
cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid has a molecular weight of 1177.29 g/mol, XLogP of 16.29, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid is sourced from PubChem (CID 158568610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).