CID 175712866

C8H19O5PSe — CID 175712866

IUPAC—
SMILESCCCCCCCCOOP(=O)(O)O.[Se]
InChIInChI=1S/C8H19O5P.Se/c1-2-3-4-5-6-7-8-12-13-14(9,10)11;/h2-8H2,1H3,(H2,9,10,11);
InChIKeyGGJYZRCNMNQUBN-UHFFFAOYSA-N
MW305.17 g/mol
LogP2.01
Rot. Bonds9

About CID 175712866

CID 175712866 (PubChem CID 175712866) has the molecular formula C8H19O5PSe and a molecular weight of 305.17 g/mol.

Molecular Properties

Compound NameCID 175712866
PubChem CID175712866
Molecular FormulaC8H19O5PSe
Molecular Weight305.17 g/mol
Exact Mass306.01
IUPAC Name—
SMILESCCCCCCCCOOP(=O)(O)O.[Se]
InChIInChI=1S/C8H19O5P.Se/c1-2-3-4-5-6-7-8-12-13-14(9,10)11;/h2-8H2,1H3,(H2,9,10,11);
InChIKeyGGJYZRCNMNQUBN-UHFFFAOYSA-N
XLogP2.01
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium;hexadecoxy dihydrogen phosphate;2-methanidylpropane
CID 170334823
dodecylperoxy dihydrogen phosphate
CID 54416216
2-hexadecylsulfanylethoxy dihydrogen phosphate
CID 87744656
decoxy ethyl hydrogen phosphate
CID 150858602
3-(dodecanoylamino)propoxy dihydrogen phosphate
CID 175895474
16-butan-2-yloxyhexadecoxy dihydrogen phosphate
CID 175759326
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
octatriacontyl dihydrogen phosphate
CID 140979287
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976

Frequently Asked Questions

What is the IUPAC name of CID 175712866?
The IUPAC name of CID 175712866 (CID 175712866) is not available.
What is the SMILES notation for CID 175712866?
The canonical SMILES for CID 175712866 is CCCCCCCCOOP(=O)(O)O.[Se].
What is the InChIKey of CID 175712866?
The InChIKey is GGJYZRCNMNQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P.Se/c1-2-3-4-5-6-7-8-12-13-14(9,10)11;/h2-8H2,1H3,(H2,9,10,11);.
What are the key properties of CID 175712866?
CID 175712866 has a molecular weight of 305.17 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175712866 is sourced from PubChem (CID 175712866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).