5-diethoxyphosphoryl-5-methylselanylpent-1-ene

C10H21O3PSe — CID 15254223

IUPAC5-diethoxyphosphoryl-5-methylselanylpent-1-ene
SMILESC=CCCC([Se]C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3PSe/c1-5-8-9-10(15-4)14(11,12-6-2)13-7-3/h5,10H,1,6-9H2,2-4H3
InChIKeyMRARFKOUTODQRW-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.30
Rot. Bonds9

About 5-diethoxyphosphoryl-5-methylselanylpent-1-ene

5-diethoxyphosphoryl-5-methylselanylpent-1-ene (PubChem CID 15254223) has the molecular formula C10H21O3PSe and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-5-methylselanylpent-1-ene.

Molecular Properties

Compound Name5-diethoxyphosphoryl-5-methylselanylpent-1-ene
PubChem CID15254223
Molecular FormulaC10H21O3PSe
Molecular Weight299.21 g/mol
Exact Mass300.04
IUPAC Name5-diethoxyphosphoryl-5-methylselanylpent-1-ene
SMILESC=CCCC([Se]C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3PSe/c1-5-8-9-10(15-4)14(11,12-6-2)13-7-3/h5,10H,1,6-9H2,2-4H3
InChIKeyMRARFKOUTODQRW-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-diethoxyphosphoryl-5-methylselanylpent-1-ene?
The IUPAC name of 5-diethoxyphosphoryl-5-methylselanylpent-1-ene (CID 15254223) is 5-diethoxyphosphoryl-5-methylselanylpent-1-ene.
What is the SMILES notation for 5-diethoxyphosphoryl-5-methylselanylpent-1-ene?
The canonical SMILES for 5-diethoxyphosphoryl-5-methylselanylpent-1-ene is C=CCCC([Se]C)P(=O)(OCC)OCC.
What is the InChIKey of 5-diethoxyphosphoryl-5-methylselanylpent-1-ene?
The InChIKey is MRARFKOUTODQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3PSe/c1-5-8-9-10(15-4)14(11,12-6-2)13-7-3/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 5-diethoxyphosphoryl-5-methylselanylpent-1-ene?
5-diethoxyphosphoryl-5-methylselanylpent-1-ene has a molecular weight of 299.21 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-5-methylselanylpent-1-ene is sourced from PubChem (CID 15254223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).