dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium

C23H40Cl2OP+ — CID 88697912

IUPACdichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium
SMILESCCCCCCCCCc1cc(C(C)(C)C)c([P+](O)(Cl)Cl)c(C(C)(C)C)c1
InChIInChI=1S/C23H40Cl2OP/c1-8-9-10-11-12-13-14-15-18-16-19(22(2,3)4)21(27(24,25)26)20(17-18)23(5,6)7/h16-17,26H,8-15H2,1-7H3/q+1
InChIKeyPQYZWCXAIYXAIQ-UHFFFAOYSA-N
MW434.45 g/mol
LogP8.43
Rot. Bonds9

About dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium

dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium (PubChem CID 88697912) has the molecular formula C23H40Cl2OP+ and a molecular weight of 434.45 g/mol. Its IUPAC name is dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium.

Molecular Properties

Compound Namedichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium
PubChem CID88697912
Molecular FormulaC23H40Cl2OP+
Molecular Weight434.45 g/mol
Exact Mass433.22
IUPAC Namedichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium
SMILESCCCCCCCCCc1cc(C(C)(C)C)c([P+](O)(Cl)Cl)c(C(C)(C)C)c1
InChIInChI=1S/C23H40Cl2OP/c1-8-9-10-11-12-13-14-15-18-16-19(22(2,3)4)21(27(24,25)26)20(17-18)23(5,6)7/h16-17,26H,8-15H2,1-7H3/q+1
InChIKeyPQYZWCXAIYXAIQ-UHFFFAOYSA-N
XLogP8.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4-butyl-2,6-ditert-butylphenol
CID 158079570
2,6-ditert-butyl-4-(3-butylheptyl)phenol;2,6-ditert-butyl-4-[8-(3,5-ditert-butyl-4-hydroxyphenyl)octyl]phenol
CID 160518697
2-tert-butyl-4-pentylphenol
CID 19933254
4-butyl-2,6-ditert-butylphenol;2-tert-butyl-4-dodecylphenol
CID 22360099
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
bis(2-tert-butyl-4-octyl-6-(propan-2-yliminomethyl)phenol);dichlorozirconium
CID 177212002
2-tert-butyl-6-methyl-4-(3-octadecylsulfanylpropyl)phenol
CID 21437807
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;octadecanoic acid;bis(propan-2-ol);titanium
CID 59746986
5-icosylbenzene-1,3-diol
CID 15775324
5-pentacosylbenzene-1,3-diol
CID 159617875
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932

Frequently Asked Questions

What is the IUPAC name of dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium?
The IUPAC name of dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium (CID 88697912) is dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium.
What is the SMILES notation for dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium?
The canonical SMILES for dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium is CCCCCCCCCc1cc(C(C)(C)C)c([P+](O)(Cl)Cl)c(C(C)(C)C)c1.
What is the InChIKey of dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium?
The InChIKey is PQYZWCXAIYXAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40Cl2OP/c1-8-9-10-11-12-13-14-15-18-16-19(22(2,3)4)21(27(24,25)26)20(17-18)23(5,6)7/h16-17,26H,8-15H2,1-7H3/q+1.
What are the key properties of dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium?
dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium has a molecular weight of 434.45 g/mol, XLogP of 8.43, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(2,6-ditert-butyl-4-nonylphenyl)-hydroxyphosphanium is sourced from PubChem (CID 88697912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).