hexyl nonyl hydrogen phosphate

C15H33O4P — CID 23169649

IUPAChexyl nonyl hydrogen phosphate
SMILESCCCCCCCCCOP(=O)(O)OCCCCCC
InChIInChI=1S/C15H33O4P/c1-3-5-7-9-10-11-13-15-19-20(16,17)18-14-12-8-6-4-2/h3-15H2,1-2H3,(H,16,17)
InChIKeyDCELQZXKTZMNII-UHFFFAOYSA-N
MW308.40 g/mol
LogP5.45
Rot. Bonds15

About hexyl nonyl hydrogen phosphate

hexyl nonyl hydrogen phosphate (PubChem CID 23169649) has the molecular formula C15H33O4P and a molecular weight of 308.40 g/mol. Its IUPAC name is hexyl nonyl hydrogen phosphate.

Molecular Properties

Compound Namehexyl nonyl hydrogen phosphate
PubChem CID23169649
Molecular FormulaC15H33O4P
Molecular Weight308.40 g/mol
Exact Mass308.21
IUPAC Namehexyl nonyl hydrogen phosphate
SMILESCCCCCCCCCOP(=O)(O)OCCCCCC
InChIInChI=1S/C15H33O4P/c1-3-5-7-9-10-11-13-15-19-20(16,17)18-14-12-8-6-4-2/h3-15H2,1-2H3,(H,16,17)
InChIKeyDCELQZXKTZMNII-UHFFFAOYSA-N
XLogP5.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

decyl dodecyl hydrogen phosphate
CID 20810618
hexadecyl hexyl hydrogen phosphate
CID 15132676
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
acetic acid;dioctyl hydrogen phosphate
CID 175176967
dihydroxy(oxo)zirconium;dioctyl hydrogen phosphate
CID 87504266
dibutyl hydrogen phosphate
CID 158586372

Frequently Asked Questions

What is the IUPAC name of hexyl nonyl hydrogen phosphate?
The IUPAC name of hexyl nonyl hydrogen phosphate (CID 23169649) is hexyl nonyl hydrogen phosphate.
What is the SMILES notation for hexyl nonyl hydrogen phosphate?
The canonical SMILES for hexyl nonyl hydrogen phosphate is CCCCCCCCCOP(=O)(O)OCCCCCC.
What is the InChIKey of hexyl nonyl hydrogen phosphate?
The InChIKey is DCELQZXKTZMNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O4P/c1-3-5-7-9-10-11-13-15-19-20(16,17)18-14-12-8-6-4-2/h3-15H2,1-2H3,(H,16,17).
What are the key properties of hexyl nonyl hydrogen phosphate?
hexyl nonyl hydrogen phosphate has a molecular weight of 308.40 g/mol, XLogP of 5.45, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl nonyl hydrogen phosphate is sourced from PubChem (CID 23169649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).