ethyl hexyl phosphate

C8H18O4P- — CID 22057005

IUPACethyl hexyl phosphate
SMILESCCCCCCOP(=O)([O-])OCC
InChIInChI=1S/C8H19O4P/c1-3-5-6-7-8-12-13(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)/p-1
InChIKeyHCIQUGMKXQZZMG-UHFFFAOYSA-M
MW209.20 g/mol
LogP2.09
Rot. Bonds8

About ethyl hexyl phosphate

ethyl hexyl phosphate (PubChem CID 22057005) has the molecular formula C8H18O4P- and a molecular weight of 209.20 g/mol. Its IUPAC name is ethyl hexyl phosphate.

Molecular Properties

Compound Nameethyl hexyl phosphate
PubChem CID22057005
Molecular FormulaC8H18O4P-
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Nameethyl hexyl phosphate
SMILESCCCCCCOP(=O)([O-])OCC
InChIInChI=1S/C8H19O4P/c1-3-5-6-7-8-12-13(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)/p-1
InChIKeyHCIQUGMKXQZZMG-UHFFFAOYSA-M
XLogP2.09
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

diicosyl phosphate
CID 21219883
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882

Frequently Asked Questions

What is the IUPAC name of ethyl hexyl phosphate?
The IUPAC name of ethyl hexyl phosphate (CID 22057005) is ethyl hexyl phosphate.
What is the SMILES notation for ethyl hexyl phosphate?
The canonical SMILES for ethyl hexyl phosphate is CCCCCCOP(=O)([O-])OCC.
What is the InChIKey of ethyl hexyl phosphate?
The InChIKey is HCIQUGMKXQZZMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O4P/c1-3-5-6-7-8-12-13(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)/p-1.
What are the key properties of ethyl hexyl phosphate?
ethyl hexyl phosphate has a molecular weight of 209.20 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hexyl phosphate is sourced from PubChem (CID 22057005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).