didodecyl hydrogen phosphate

C24H51O4P — CID 23467

IUPACdidodecyl hydrogen phosphate
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC
InChIInChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)
InChIKeyJTXUVYOABGUBMX-UHFFFAOYSA-N
MW434.64 g/mol
LogP8.96
Rot. Bonds24

About didodecyl hydrogen phosphate

didodecyl hydrogen phosphate (PubChem CID 23467) has the molecular formula C24H51O4P and a molecular weight of 434.64 g/mol. Its IUPAC name is didodecyl hydrogen phosphate.

Molecular Properties

Compound Namedidodecyl hydrogen phosphate
PubChem CID23467
Molecular FormulaC24H51O4P
Molecular Weight434.64 g/mol
Exact Mass434.35
IUPAC Namedidodecyl hydrogen phosphate
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC
InChIInChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)
InChIKeyJTXUVYOABGUBMX-UHFFFAOYSA-N
XLogP8.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.64
LogP ≤ 58.96
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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Frequently Asked Questions

What is the IUPAC name of didodecyl hydrogen phosphate?
The IUPAC name of didodecyl hydrogen phosphate (CID 23467) is didodecyl hydrogen phosphate.
What is the SMILES notation for didodecyl hydrogen phosphate?
The canonical SMILES for didodecyl hydrogen phosphate is CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.
What is the InChIKey of didodecyl hydrogen phosphate?
The InChIKey is JTXUVYOABGUBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26).
What are the key properties of didodecyl hydrogen phosphate?
didodecyl hydrogen phosphate has a molecular weight of 434.64 g/mol, XLogP of 8.96, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl hydrogen phosphate is sourced from PubChem (CID 23467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).