cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid

C22H45O3P — CID 101008990

IUPACcyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid
SMILESCCCCCCC(CCC(CC)CCCC)OP(=O)(O)C1CCCCC1
InChIInChI=1S/C22H45O3P/c1-4-7-9-11-15-21(19-18-20(6-3)14-8-5-2)25-26(23,24)22-16-12-10-13-17-22/h20-22H,4-19H2,1-3H3,(H,23,24)
InChIKeyUWVSAOPWUSRPLN-UHFFFAOYSA-N
MW388.57 g/mol
LogP7.86
Rot. Bonds15

About cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid

cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid (PubChem CID 101008990) has the molecular formula C22H45O3P and a molecular weight of 388.57 g/mol. Its IUPAC name is cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid.

Molecular Properties

Compound Namecyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid
PubChem CID101008990
Molecular FormulaC22H45O3P
Molecular Weight388.57 g/mol
Exact Mass388.31
IUPAC Namecyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid
SMILESCCCCCCC(CCC(CC)CCCC)OP(=O)(O)C1CCCCC1
InChIInChI=1S/C22H45O3P/c1-4-7-9-11-15-21(19-18-20(6-3)14-8-5-2)25-26(23,24)22-16-12-10-13-17-22/h20-22H,4-19H2,1-3H3,(H,23,24)
InChIKeyUWVSAOPWUSRPLN-UHFFFAOYSA-N
XLogP7.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.57
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate
CID 71340839
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
pentadecan-6-yl dihydrogen phosphate
CID 22719349
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263
azane;decan-5-yl dihydrogen phosphate
CID 88685768
henicosan-4-yl dihydrogen phosphate
CID 175269897
2-methyldodecan-5-yl dihydrogen phosphate
CID 23120845
tris(cyclohexyl(2-ethylhexyl)phosphinate);iron(3+)
CID 19865296
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
2-phosphonooxydecylazanium
CID 102322927
copper;octan-3-yl dihydrogen phosphate
CID 174493101

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid?
The IUPAC name of cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid (CID 101008990) is cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid.
What is the SMILES notation for cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid?
The canonical SMILES for cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid is CCCCCCC(CCC(CC)CCCC)OP(=O)(O)C1CCCCC1.
What is the InChIKey of cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid?
The InChIKey is UWVSAOPWUSRPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45O3P/c1-4-7-9-11-15-21(19-18-20(6-3)14-8-5-2)25-26(23,24)22-16-12-10-13-17-22/h20-22H,4-19H2,1-3H3,(H,23,24).
What are the key properties of cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid?
cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid has a molecular weight of 388.57 g/mol, XLogP of 7.86, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid is sourced from PubChem (CID 101008990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).