2-diethoxyphosphorylselanyldecanal

C14H29O4PSe — CID 15019270

IUPAC2-diethoxyphosphorylselanyldecanal
SMILESCCCCCCCCC(C=O)[Se]P(=O)(OCC)OCC
InChIInChI=1S/C14H29O4PSe/c1-4-7-8-9-10-11-12-14(13-15)20-19(16,17-5-2)18-6-3/h13-14H,4-12H2,1-3H3
InChIKeyGKJRXXPOHSNZSG-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.61
Rot. Bonds14

About 2-diethoxyphosphorylselanyldecanal

2-diethoxyphosphorylselanyldecanal (PubChem CID 15019270) has the molecular formula C14H29O4PSe and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-diethoxyphosphorylselanyldecanal.

Molecular Properties

Compound Name2-diethoxyphosphorylselanyldecanal
PubChem CID15019270
Molecular FormulaC14H29O4PSe
Molecular Weight371.32 g/mol
Exact Mass372.10
IUPAC Name2-diethoxyphosphorylselanyldecanal
SMILESCCCCCCCCC(C=O)[Se]P(=O)(OCC)OCC
InChIInChI=1S/C14H29O4PSe/c1-4-7-8-9-10-11-12-14(13-15)20-19(16,17-5-2)18-6-3/h13-14H,4-12H2,1-3H3
InChIKeyGKJRXXPOHSNZSG-UHFFFAOYSA-N
XLogP4.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylselanyldecanal?
The IUPAC name of 2-diethoxyphosphorylselanyldecanal (CID 15019270) is 2-diethoxyphosphorylselanyldecanal.
What is the SMILES notation for 2-diethoxyphosphorylselanyldecanal?
The canonical SMILES for 2-diethoxyphosphorylselanyldecanal is CCCCCCCCC(C=O)[Se]P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylselanyldecanal?
The InChIKey is GKJRXXPOHSNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O4PSe/c1-4-7-8-9-10-11-12-14(13-15)20-19(16,17-5-2)18-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-diethoxyphosphorylselanyldecanal?
2-diethoxyphosphorylselanyldecanal has a molecular weight of 371.32 g/mol, XLogP of 4.61, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylselanyldecanal is sourced from PubChem (CID 15019270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).