CID 131883274

C8H19K2O4P — CID 131883274

IUPAC—
SMILESCCCCC(CC)COP(=O)(O)O.[K].[K]
InChIInChI=1S/C8H19O4P.2K/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;
InChIKeyIQJSBEUGIFFLDV-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.55
Rot. Bonds7

About CID 131883274

CID 131883274 (PubChem CID 131883274) has the molecular formula C8H19K2O4P and a molecular weight of 288.41 g/mol.

Molecular Properties

Compound NameCID 131883274
PubChem CID131883274
Molecular FormulaC8H19K2O4P
Molecular Weight288.41 g/mol
Exact Mass288.03
IUPAC Name—
SMILESCCCCC(CC)COP(=O)(O)O.[K].[K]
InChIInChI=1S/C8H19O4P.2K/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;
InChIKeyIQJSBEUGIFFLDV-UHFFFAOYSA-N
XLogP1.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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sodium;2-ethylhexyl dihydrogen phosphate;hydride
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potassium 2-ethylhexyl hydrogen phosphate
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[2-ethylhexoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
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CID 16704221
2-ethylhexyl dihydrogen phosphate;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 139033189
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
2-ethylhexoxy(hexyl)phosphinic acid
CID 141274612
aziridine;bis(2-ethylhexyl) hydrogen phosphate
CID 161127551

Frequently Asked Questions

What is the IUPAC name of CID 131883274?
The IUPAC name of CID 131883274 (CID 131883274) is not available.
What is the SMILES notation for CID 131883274?
The canonical SMILES for CID 131883274 is CCCCC(CC)COP(=O)(O)O.[K].[K].
What is the InChIKey of CID 131883274?
The InChIKey is IQJSBEUGIFFLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P.2K/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;.
What are the key properties of CID 131883274?
CID 131883274 has a molecular weight of 288.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131883274 is sourced from PubChem (CID 131883274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).