octan-2-yloxy(propyl)phosphinic acid

C11H25O3P — CID 87194607

IUPACoctan-2-yloxy(propyl)phosphinic acid
SMILESCCCCCCC(C)OP(=O)(O)CCC
InChIInChI=1S/C11H25O3P/c1-4-6-7-8-9-11(3)14-15(12,13)10-5-2/h11H,4-10H2,1-3H3,(H,12,13)
InChIKeyXKJJTCUCUCMUDN-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.96
Rot. Bonds9

About octan-2-yloxy(propyl)phosphinic acid

octan-2-yloxy(propyl)phosphinic acid (PubChem CID 87194607) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is octan-2-yloxy(propyl)phosphinic acid.

Molecular Properties

Compound Nameoctan-2-yloxy(propyl)phosphinic acid
PubChem CID87194607
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Nameoctan-2-yloxy(propyl)phosphinic acid
SMILESCCCCCCC(C)OP(=O)(O)CCC
InChIInChI=1S/C11H25O3P/c1-4-6-7-8-9-11(3)14-15(12,13)10-5-2/h11H,4-10H2,1-3H3,(H,12,13)
InChIKeyXKJJTCUCUCMUDN-UHFFFAOYSA-N
XLogP3.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.96
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

decan-2-yl fluoro hydrogen phosphate
CID 175171865
nonadecan-2-yl phosphate
CID 21219886
2-[ethyl(octan-2-yloxy)phosphoryl]oxyoctane
CID 170850980
2-[octan-2-yl(octan-2-yloxy)phosphoryl]oxyoctane
CID 88710365
dioctan-2-yl phosphate;iron(2+)
CID 157379729
dipotassium;tridecan-2-yl phosphate
CID 139671549
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
decan-2-yloxy(methyl)phosphinate
CID 170850603
2-hexyloctyl octan-2-yl hydrogen phosphate
CID 139608562
butan-2-yloxy-[3-[methyl(tetradecyl)amino]propyl]phosphinic acid;hydrobromide
CID 89239720
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249
2-[hydroxy(octadecan-2-yloxy)phosphoryl]oxyethyl-trimethylazanium
CID 174758014

Frequently Asked Questions

What is the IUPAC name of octan-2-yloxy(propyl)phosphinic acid?
The IUPAC name of octan-2-yloxy(propyl)phosphinic acid (CID 87194607) is octan-2-yloxy(propyl)phosphinic acid.
What is the SMILES notation for octan-2-yloxy(propyl)phosphinic acid?
The canonical SMILES for octan-2-yloxy(propyl)phosphinic acid is CCCCCCC(C)OP(=O)(O)CCC.
What is the InChIKey of octan-2-yloxy(propyl)phosphinic acid?
The InChIKey is XKJJTCUCUCMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-4-6-7-8-9-11(3)14-15(12,13)10-5-2/h11H,4-10H2,1-3H3,(H,12,13).
What are the key properties of octan-2-yloxy(propyl)phosphinic acid?
octan-2-yloxy(propyl)phosphinic acid has a molecular weight of 236.29 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yloxy(propyl)phosphinic acid is sourced from PubChem (CID 87194607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).