8-[hexyl(octyl)phosphoryl]octan-1-ol

C22H47O2P — CID 139594287

IUPAC8-[hexyl(octyl)phosphoryl]octan-1-ol
SMILESCCCCCCCCP(=O)(CCCCCC)CCCCCCCCO
InChIInChI=1S/C22H47O2P/c1-3-5-7-9-13-17-21-25(24,20-16-8-6-4-2)22-18-14-11-10-12-15-19-23/h23H,3-22H2,1-2H3
InChIKeyBBAQENYXFSRJGL-UHFFFAOYSA-N
MW374.59 g/mol
LogP7.62
Rot. Bonds20

About 8-[hexyl(octyl)phosphoryl]octan-1-ol

8-[hexyl(octyl)phosphoryl]octan-1-ol (PubChem CID 139594287) has the molecular formula C22H47O2P and a molecular weight of 374.59 g/mol. Its IUPAC name is 8-[hexyl(octyl)phosphoryl]octan-1-ol.

Molecular Properties

Compound Name8-[hexyl(octyl)phosphoryl]octan-1-ol
PubChem CID139594287
Molecular FormulaC22H47O2P
Molecular Weight374.59 g/mol
Exact Mass374.33
IUPAC Name8-[hexyl(octyl)phosphoryl]octan-1-ol
SMILESCCCCCCCCP(=O)(CCCCCC)CCCCCCCCO
InChIInChI=1S/C22H47O2P/c1-3-5-7-9-13-17-21-25(24,20-16-8-6-4-2)22-18-14-11-10-12-15-19-23/h23H,3-22H2,1-2H3
InChIKeyBBAQENYXFSRJGL-UHFFFAOYSA-N
XLogP7.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.59
LogP ≤ 57.62
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

3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol
CID 89306365
2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
CID 172735074
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
heptadecan-1-ol;phosphoric acid
CID 174616506
octadecan-1-ol;phosphoric acid;zinc
CID 175122102
phosphoric acid;silane;tridecan-1-ol
CID 174860606
trisodium;octadecan-1-ol;phosphate
CID 173304985
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071

Frequently Asked Questions

What is the IUPAC name of 8-[hexyl(octyl)phosphoryl]octan-1-ol?
The IUPAC name of 8-[hexyl(octyl)phosphoryl]octan-1-ol (CID 139594287) is 8-[hexyl(octyl)phosphoryl]octan-1-ol.
What is the SMILES notation for 8-[hexyl(octyl)phosphoryl]octan-1-ol?
The canonical SMILES for 8-[hexyl(octyl)phosphoryl]octan-1-ol is CCCCCCCCP(=O)(CCCCCC)CCCCCCCCO.
What is the InChIKey of 8-[hexyl(octyl)phosphoryl]octan-1-ol?
The InChIKey is BBAQENYXFSRJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47O2P/c1-3-5-7-9-13-17-21-25(24,20-16-8-6-4-2)22-18-14-11-10-12-15-19-23/h23H,3-22H2,1-2H3.
What are the key properties of 8-[hexyl(octyl)phosphoryl]octan-1-ol?
8-[hexyl(octyl)phosphoryl]octan-1-ol has a molecular weight of 374.59 g/mol, XLogP of 7.62, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[hexyl(octyl)phosphoryl]octan-1-ol is sourced from PubChem (CID 139594287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).