ethenyl(octan-4-yloxy)phosphinic acid

C10H21O3P — CID 88822160

IUPACethenyl(octan-4-yloxy)phosphinic acid
SMILESC=CP(=O)(O)OC(CCC)CCCC
InChIInChI=1S/C10H21O3P/c1-4-7-9-10(8-5-2)13-14(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3,(H,11,12)
InChIKeyYVRHNSSTIGYPLD-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.69
Rot. Bonds8

About ethenyl(octan-4-yloxy)phosphinic acid

ethenyl(octan-4-yloxy)phosphinic acid (PubChem CID 88822160) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is ethenyl(octan-4-yloxy)phosphinic acid.

Molecular Properties

Compound Nameethenyl(octan-4-yloxy)phosphinic acid
PubChem CID88822160
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Nameethenyl(octan-4-yloxy)phosphinic acid
SMILESC=CP(=O)(O)OC(CCC)CCCC
InChIInChI=1S/C10H21O3P/c1-4-7-9-10(8-5-2)13-14(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3,(H,11,12)
InChIKeyYVRHNSSTIGYPLD-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

henicosan-4-yl dihydrogen phosphate
CID 175269897
1-hydroxypropyl(octan-4-yloxy)phosphinic acid
CID 88818158
diheptan-4-yl hydrogen phosphate
CID 22497552
heptan-4-yl dihydrogen phosphate
CID 18763997
azane;decan-5-yl dihydrogen phosphate
CID 88685768
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
dodecan-4-yl phosphono hydrogen phosphate
CID 88765863
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
nonan-5-yl octadecyl hydrogen phosphate
CID 89345208
5-[fluoro(propyl)phosphoryl]oxynonane
CID 170850723
hept-1-en-3-yl methyl hydrogen phosphate
CID 175860112

Frequently Asked Questions

What is the IUPAC name of ethenyl(octan-4-yloxy)phosphinic acid?
The IUPAC name of ethenyl(octan-4-yloxy)phosphinic acid (CID 88822160) is ethenyl(octan-4-yloxy)phosphinic acid.
What is the SMILES notation for ethenyl(octan-4-yloxy)phosphinic acid?
The canonical SMILES for ethenyl(octan-4-yloxy)phosphinic acid is C=CP(=O)(O)OC(CCC)CCCC.
What is the InChIKey of ethenyl(octan-4-yloxy)phosphinic acid?
The InChIKey is YVRHNSSTIGYPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-4-7-9-10(8-5-2)13-14(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3,(H,11,12).
What are the key properties of ethenyl(octan-4-yloxy)phosphinic acid?
ethenyl(octan-4-yloxy)phosphinic acid has a molecular weight of 220.25 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(octan-4-yloxy)phosphinic acid is sourced from PubChem (CID 88822160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).