decyl dodecyl hydrogen phosphate

C22H47O4P — CID 20810618

IUPACdecyl dodecyl hydrogen phosphate
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCC
InChIInChI=1S/C22H47O4P/c1-3-5-7-9-11-13-14-16-18-20-22-26-27(23,24)25-21-19-17-15-12-10-8-6-4-2/h3-22H2,1-2H3,(H,23,24)
InChIKeyJEVIDAVEYPPBFQ-UHFFFAOYSA-N
MW406.59 g/mol
LogP8.18
Rot. Bonds22

About decyl dodecyl hydrogen phosphate

decyl dodecyl hydrogen phosphate (PubChem CID 20810618) has the molecular formula C22H47O4P and a molecular weight of 406.59 g/mol. Its IUPAC name is decyl dodecyl hydrogen phosphate.

Molecular Properties

Compound Namedecyl dodecyl hydrogen phosphate
PubChem CID20810618
Molecular FormulaC22H47O4P
Molecular Weight406.59 g/mol
Exact Mass406.32
IUPAC Namedecyl dodecyl hydrogen phosphate
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCC
InChIInChI=1S/C22H47O4P/c1-3-5-7-9-11-13-14-16-18-20-22-26-27(23,24)25-21-19-17-15-12-10-8-6-4-2/h3-22H2,1-2H3,(H,23,24)
InChIKeyJEVIDAVEYPPBFQ-UHFFFAOYSA-N
XLogP8.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 58.18
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

hexyl nonyl hydrogen phosphate
CID 23169649
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 decyl dodecyl hydrogen phosphate?
The IUPAC name of decyl dodecyl hydrogen phosphate (CID 20810618) is decyl dodecyl hydrogen phosphate.
What is the SMILES notation for decyl dodecyl hydrogen phosphate?
The canonical SMILES for decyl dodecyl hydrogen phosphate is CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCC.
What is the InChIKey of decyl dodecyl hydrogen phosphate?
The InChIKey is JEVIDAVEYPPBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47O4P/c1-3-5-7-9-11-13-14-16-18-20-22-26-27(23,24)25-21-19-17-15-12-10-8-6-4-2/h3-22H2,1-2H3,(H,23,24).
What are the key properties of decyl dodecyl hydrogen phosphate?
decyl dodecyl hydrogen phosphate has a molecular weight of 406.59 g/mol, XLogP of 8.18, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl dodecyl hydrogen phosphate is sourced from PubChem (CID 20810618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).