1-(1-diethoxyphosphorylethylselanyl)butane

C10H23O3PSe — CID 134988801

IUPAC1-(1-diethoxyphosphorylethylselanyl)butane
SMILESCCCC[Se]C(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H23O3PSe/c1-5-8-9-15-10(4)14(11,12-6-2)13-7-3/h10H,5-9H2,1-4H3
InChIKeyZQAOZMGVRPHHPU-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.52
Rot. Bonds9

About 1-(1-diethoxyphosphorylethylselanyl)butane

1-(1-diethoxyphosphorylethylselanyl)butane (PubChem CID 134988801) has the molecular formula C10H23O3PSe and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(1-diethoxyphosphorylethylselanyl)butane.

Molecular Properties

Compound Name1-(1-diethoxyphosphorylethylselanyl)butane
PubChem CID134988801
Molecular FormulaC10H23O3PSe
Molecular Weight301.23 g/mol
Exact Mass302.06
IUPAC Name1-(1-diethoxyphosphorylethylselanyl)butane
SMILESCCCC[Se]C(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H23O3PSe/c1-5-8-9-15-10(4)14(11,12-6-2)13-7-3/h10H,5-9H2,1-4H3
InChIKeyZQAOZMGVRPHHPU-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.52
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
1,1-bis(diethoxyphosphoryl)tridecane
CID 172732742
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
2-butoxy-2-diethoxyphosphorylacetate
CID 22557681

Frequently Asked Questions

What is the IUPAC name of 1-(1-diethoxyphosphorylethylselanyl)butane?
The IUPAC name of 1-(1-diethoxyphosphorylethylselanyl)butane (CID 134988801) is 1-(1-diethoxyphosphorylethylselanyl)butane.
What is the SMILES notation for 1-(1-diethoxyphosphorylethylselanyl)butane?
The canonical SMILES for 1-(1-diethoxyphosphorylethylselanyl)butane is CCCC[Se]C(C)P(=O)(OCC)OCC.
What is the InChIKey of 1-(1-diethoxyphosphorylethylselanyl)butane?
The InChIKey is ZQAOZMGVRPHHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3PSe/c1-5-8-9-15-10(4)14(11,12-6-2)13-7-3/h10H,5-9H2,1-4H3.
What are the key properties of 1-(1-diethoxyphosphorylethylselanyl)butane?
1-(1-diethoxyphosphorylethylselanyl)butane has a molecular weight of 301.23 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diethoxyphosphorylethylselanyl)butane is sourced from PubChem (CID 134988801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).