cyclohexyloxy(dodecyl)phosphinic acid

C18H37O3P — CID 174792280

IUPACcyclohexyloxy(dodecyl)phosphinic acid
SMILESCCCCCCCCCCCCP(=O)(O)OC1CCCCC1
InChIInChI=1S/C18H37O3P/c1-2-3-4-5-6-7-8-9-10-14-17-22(19,20)21-18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H,19,20)
InChIKeyQEBLRORDGZSCCF-UHFFFAOYSA-N
MW332.47 g/mol
LogP6.44
Rot. Bonds13

About cyclohexyloxy(dodecyl)phosphinic acid

cyclohexyloxy(dodecyl)phosphinic acid (PubChem CID 174792280) has the molecular formula C18H37O3P and a molecular weight of 332.47 g/mol. Its IUPAC name is cyclohexyloxy(dodecyl)phosphinic acid.

Molecular Properties

Compound Namecyclohexyloxy(dodecyl)phosphinic acid
PubChem CID174792280
Molecular FormulaC18H37O3P
Molecular Weight332.47 g/mol
Exact Mass332.25
IUPAC Namecyclohexyloxy(dodecyl)phosphinic acid
SMILESCCCCCCCCCCCCP(=O)(O)OC1CCCCC1
InChIInChI=1S/C18H37O3P/c1-2-3-4-5-6-7-8-9-10-14-17-22(19,20)21-18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H,19,20)
InChIKeyQEBLRORDGZSCCF-UHFFFAOYSA-N
XLogP6.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 56.44
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

cyclohexyl nonyl hydrogen phosphate
CID 163645473
azanide;cyclohexyloxy-[[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphinic acid;platinum(2+)
CID 58140306
cyclohexane;phosphoric acid;bis(tetradecane)
CID 175142531
decyl(methoxy)phosphinic acid
CID 54568982
[butoxy(butyl)phosphoryl]oxycyclohexane
CID 87506579
cyclohexyl decyl phosphate
CID 23362679
fluorooxy(octyl)phosphinic acid
CID 140648902
1-dicyclohexyloxyphosphoryl-2-ethylhexan-1-one
CID 23002045
butyl(cyclopentylmethoxy)phosphinic acid
CID 87155036
cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
CID 21217479
heptoxy(octadecyl)phosphinic acid
CID 139947141
butane;ethoxy(hexyl)phosphinic acid
CID 174841560

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy(dodecyl)phosphinic acid?
The IUPAC name of cyclohexyloxy(dodecyl)phosphinic acid (CID 174792280) is cyclohexyloxy(dodecyl)phosphinic acid.
What is the SMILES notation for cyclohexyloxy(dodecyl)phosphinic acid?
The canonical SMILES for cyclohexyloxy(dodecyl)phosphinic acid is CCCCCCCCCCCCP(=O)(O)OC1CCCCC1.
What is the InChIKey of cyclohexyloxy(dodecyl)phosphinic acid?
The InChIKey is QEBLRORDGZSCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O3P/c1-2-3-4-5-6-7-8-9-10-14-17-22(19,20)21-18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H,19,20).
What are the key properties of cyclohexyloxy(dodecyl)phosphinic acid?
cyclohexyloxy(dodecyl)phosphinic acid has a molecular weight of 332.47 g/mol, XLogP of 6.44, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy(dodecyl)phosphinic acid is sourced from PubChem (CID 174792280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).