5-butylselanyl-5-diethoxyphosphorylpent-1-ene

C13H27O3PSe — CID 134919637

IUPAC5-butylselanyl-5-diethoxyphosphorylpent-1-ene
SMILESC=CCCC([Se]CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3PSe/c1-5-9-11-13(18-12-10-6-2)17(14,15-7-3)16-8-4/h5,13H,1,6-12H2,2-4H3
InChIKeyUJPKOOUJMGDYGK-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.47
Rot. Bonds12

About 5-butylselanyl-5-diethoxyphosphorylpent-1-ene

5-butylselanyl-5-diethoxyphosphorylpent-1-ene (PubChem CID 134919637) has the molecular formula C13H27O3PSe and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-butylselanyl-5-diethoxyphosphorylpent-1-ene.

Molecular Properties

Compound Name5-butylselanyl-5-diethoxyphosphorylpent-1-ene
PubChem CID134919637
Molecular FormulaC13H27O3PSe
Molecular Weight341.29 g/mol
Exact Mass342.09
IUPAC Name5-butylselanyl-5-diethoxyphosphorylpent-1-ene
SMILESC=CCCC([Se]CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3PSe/c1-5-9-11-13(18-12-10-6-2)17(14,15-7-3)16-8-4/h5,13H,1,6-12H2,2-4H3
InChIKeyUJPKOOUJMGDYGK-UHFFFAOYSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butylselanyl-5-diethoxyphosphorylpent-1-ene?
The IUPAC name of 5-butylselanyl-5-diethoxyphosphorylpent-1-ene (CID 134919637) is 5-butylselanyl-5-diethoxyphosphorylpent-1-ene.
What is the SMILES notation for 5-butylselanyl-5-diethoxyphosphorylpent-1-ene?
The canonical SMILES for 5-butylselanyl-5-diethoxyphosphorylpent-1-ene is C=CCCC([Se]CCCC)P(=O)(OCC)OCC.
What is the InChIKey of 5-butylselanyl-5-diethoxyphosphorylpent-1-ene?
The InChIKey is UJPKOOUJMGDYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O3PSe/c1-5-9-11-13(18-12-10-6-2)17(14,15-7-3)16-8-4/h5,13H,1,6-12H2,2-4H3.
What are the key properties of 5-butylselanyl-5-diethoxyphosphorylpent-1-ene?
5-butylselanyl-5-diethoxyphosphorylpent-1-ene has a molecular weight of 341.29 g/mol, XLogP of 4.47, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylselanyl-5-diethoxyphosphorylpent-1-ene is sourced from PubChem (CID 134919637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).