dibutyl-(1-dodecoxybutyl)-ethylphosphanium

C26H56OP+ — CID 157070318

IUPACdibutyl-(1-dodecoxybutyl)-ethylphosphanium
SMILESCCCCCCCCCCCCOC(CCC)[P+](CC)(CCCC)CCCC
InChIInChI=1S/C26H56OP/c1-6-11-14-15-16-17-18-19-20-21-23-27-26(22-9-4)28(10-5,24-12-7-2)25-13-8-3/h26H,6-25H2,1-5H3/q+1
InChIKeyACISHSAHQVNOHK-UHFFFAOYSA-N
MW415.71 g/mol
LogP9.69
Rot. Bonds22

About dibutyl-(1-dodecoxybutyl)-ethylphosphanium

dibutyl-(1-dodecoxybutyl)-ethylphosphanium (PubChem CID 157070318) has the molecular formula C26H56OP+ and a molecular weight of 415.71 g/mol. Its IUPAC name is dibutyl-(1-dodecoxybutyl)-ethylphosphanium.

Molecular Properties

Compound Namedibutyl-(1-dodecoxybutyl)-ethylphosphanium
PubChem CID157070318
Molecular FormulaC26H56OP+
Molecular Weight415.71 g/mol
Exact Mass415.41
IUPAC Namedibutyl-(1-dodecoxybutyl)-ethylphosphanium
SMILESCCCCCCCCCCCCOC(CCC)[P+](CC)(CCCC)CCCC
InChIInChI=1S/C26H56OP/c1-6-11-14-15-16-17-18-19-20-21-23-27-26(22-9-4)28(10-5,24-12-7-2)25-13-8-3/h26H,6-25H2,1-5H3/q+1
InChIKeyACISHSAHQVNOHK-UHFFFAOYSA-N
XLogP9.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.71
LogP ≤ 59.69
H-Bond Donors ≤ 50
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

1-undecoxybutan-1-ol
CID 139971924
1-hexan-2-yloxydecane
CID 57029724
1-(1-propoxypropoxy)hexane
CID 89482622
1-pentan-3-yloxydecane
CID 173279604
1-(1-fluorobutoxy)heptane
CID 87417089
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1-(3-propoxyundecan-2-yloxy)dodecane
CID 91553470
1-(2-propoxyundecan-3-yloxy)dodecane
CID 91370183
diethyl(1-octoxypropoxy)alumane
CID 139905167
1-(difluoromethoxy)decane
CID 14400535

Frequently Asked Questions

What is the IUPAC name of dibutyl-(1-dodecoxybutyl)-ethylphosphanium?
The IUPAC name of dibutyl-(1-dodecoxybutyl)-ethylphosphanium (CID 157070318) is dibutyl-(1-dodecoxybutyl)-ethylphosphanium.
What is the SMILES notation for dibutyl-(1-dodecoxybutyl)-ethylphosphanium?
The canonical SMILES for dibutyl-(1-dodecoxybutyl)-ethylphosphanium is CCCCCCCCCCCCOC(CCC)[P+](CC)(CCCC)CCCC.
What is the InChIKey of dibutyl-(1-dodecoxybutyl)-ethylphosphanium?
The InChIKey is ACISHSAHQVNOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56OP/c1-6-11-14-15-16-17-18-19-20-21-23-27-26(22-9-4)28(10-5,24-12-7-2)25-13-8-3/h26H,6-25H2,1-5H3/q+1.
What are the key properties of dibutyl-(1-dodecoxybutyl)-ethylphosphanium?
dibutyl-(1-dodecoxybutyl)-ethylphosphanium has a molecular weight of 415.71 g/mol, XLogP of 9.69, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(1-dodecoxybutyl)-ethylphosphanium is sourced from PubChem (CID 157070318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).