di(cyclooctyl)phosphinic acid

C16H31O2P — CID 15243623

IUPACdi(cyclooctyl)phosphinic acid
SMILESO=P(O)(C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C16H31O2P/c17-19(18,15-11-7-3-1-4-8-12-15)16-13-9-5-2-6-10-14-16/h15-16H,1-14H2,(H,17,18)
InChIKeyYXPIGSRHEMEENZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP5.48
Rot. Bonds2

About di(cyclooctyl)phosphinic acid

di(cyclooctyl)phosphinic acid (PubChem CID 15243623) has the molecular formula C16H31O2P and a molecular weight of 286.40 g/mol. Its IUPAC name is di(cyclooctyl)phosphinic acid.

Molecular Properties

Compound Namedi(cyclooctyl)phosphinic acid
PubChem CID15243623
Molecular FormulaC16H31O2P
Molecular Weight286.40 g/mol
Exact Mass286.21
IUPAC Namedi(cyclooctyl)phosphinic acid
SMILESO=P(O)(C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C16H31O2P/c17-19(18,15-11-7-3-1-4-8-12-15)16-13-9-5-2-6-10-14-16/h15-16H,1-14H2,(H,17,18)
InChIKeyYXPIGSRHEMEENZ-UHFFFAOYSA-N
XLogP5.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.40
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
CID 87473548
dicyclopentylphosphorylcyclohexane
CID 177406372
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
CID 14249029
cyclohexane;phosphoric acid
CID 66712199
(3-fluorocyclohexyl)phosphonic acid
CID 67504081
azane;cyclopropane;phosphoric acid
CID 67655484
cyclohexylsulfanylphosphonic acid
CID 19374027
[cyclohexyl(methoxy)phosphoryl] hypofluorite
CID 175039350
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
cyclohexylmethylphosphonic acid;hydrate
CID 70153007
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013

Frequently Asked Questions

What is the IUPAC name of di(cyclooctyl)phosphinic acid?
The IUPAC name of di(cyclooctyl)phosphinic acid (CID 15243623) is di(cyclooctyl)phosphinic acid.
What is the SMILES notation for di(cyclooctyl)phosphinic acid?
The canonical SMILES for di(cyclooctyl)phosphinic acid is O=P(O)(C1CCCCCCC1)C1CCCCCCC1.
What is the InChIKey of di(cyclooctyl)phosphinic acid?
The InChIKey is YXPIGSRHEMEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O2P/c17-19(18,15-11-7-3-1-4-8-12-15)16-13-9-5-2-6-10-14-16/h15-16H,1-14H2,(H,17,18).
What are the key properties of di(cyclooctyl)phosphinic acid?
di(cyclooctyl)phosphinic acid has a molecular weight of 286.40 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclooctyl)phosphinic acid is sourced from PubChem (CID 15243623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).