CID 87184341

C8H19KO4P — CID 87184341

IUPAC—
SMILESCCCCC(CC)COP(=O)(O)O.[K]
InChIInChI=1S/C8H19O4P.K/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);
InChIKeyBPSHABMZXMMLTQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.93
Rot. Bonds7

About CID 87184341

CID 87184341 (PubChem CID 87184341) has the molecular formula C8H19KO4P and a molecular weight of 249.31 g/mol.

Molecular Properties

Compound NameCID 87184341
PubChem CID87184341
Molecular FormulaC8H19KO4P
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name—
SMILESCCCCC(CC)COP(=O)(O)O.[K]
InChIInChI=1S/C8H19O4P.K/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);
InChIKeyBPSHABMZXMMLTQ-UHFFFAOYSA-N
XLogP1.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.93
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

CID 131883274
CID 131883274
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
[2-ethylhexoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
CID 57171045
bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
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 87184341?
The IUPAC name of CID 87184341 (CID 87184341) is not available.
What is the SMILES notation for CID 87184341?
The canonical SMILES for CID 87184341 is CCCCC(CC)COP(=O)(O)O.[K].
What is the InChIKey of CID 87184341?
The InChIKey is BPSHABMZXMMLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P.K/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 87184341?
CID 87184341 has a molecular weight of 249.31 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87184341 is sourced from PubChem (CID 87184341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).