5-butylselanyl-5-dimethoxyphosphorylpent-1-ene

C11H23O3PSe — CID 134988894

IUPAC5-butylselanyl-5-dimethoxyphosphorylpent-1-ene
SMILESC=CCCC([Se]CCCC)P(=O)(OC)OC
InChIInChI=1S/C11H23O3PSe/c1-5-7-9-11(16-10-8-6-2)15(12,13-3)14-4/h5,11H,1,6-10H2,2-4H3
InChIKeyVSUPUVWSIAFJLL-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.69
Rot. Bonds10

About 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene

5-butylselanyl-5-dimethoxyphosphorylpent-1-ene (PubChem CID 134988894) has the molecular formula C11H23O3PSe and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene.

Molecular Properties

Compound Name5-butylselanyl-5-dimethoxyphosphorylpent-1-ene
PubChem CID134988894
Molecular FormulaC11H23O3PSe
Molecular Weight313.24 g/mol
Exact Mass314.06
IUPAC Name5-butylselanyl-5-dimethoxyphosphorylpent-1-ene
SMILESC=CCCC([Se]CCCC)P(=O)(OC)OC
InChIInChI=1S/C11H23O3PSe/c1-5-7-9-11(16-10-8-6-2)15(12,13-3)14-4/h5,11H,1,6-10H2,2-4H3
InChIKeyVSUPUVWSIAFJLL-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.69
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-dimethoxyphosphorylpent-1-ene?
The IUPAC name of 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene (CID 134988894) is 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene.
What is the SMILES notation for 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene?
The canonical SMILES for 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene is C=CCCC([Se]CCCC)P(=O)(OC)OC.
What is the InChIKey of 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene?
The InChIKey is VSUPUVWSIAFJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3PSe/c1-5-7-9-11(16-10-8-6-2)15(12,13-3)14-4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene?
5-butylselanyl-5-dimethoxyphosphorylpent-1-ene has a molecular weight of 313.24 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylselanyl-5-dimethoxyphosphorylpent-1-ene is sourced from PubChem (CID 134988894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).