4-dibutoxyphosphorylselenomorpholine

C12H26NO3PSe — CID 102520796

IUPAC4-dibutoxyphosphorylselenomorpholine
SMILESCCCCOP(=O)(OCCCC)N1CC[Se]CC1
InChIInChI=1S/C12H26NO3PSe/c1-3-5-9-15-17(14,16-10-6-4-2)13-7-11-18-12-8-13/h3-12H2,1-2H3
InChIKeyNXOYEHNNWLVWTB-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.58
Rot. Bonds9

About 4-dibutoxyphosphorylselenomorpholine

4-dibutoxyphosphorylselenomorpholine (PubChem CID 102520796) has the molecular formula C12H26NO3PSe and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-dibutoxyphosphorylselenomorpholine.

Molecular Properties

Compound Name4-dibutoxyphosphorylselenomorpholine
PubChem CID102520796
Molecular FormulaC12H26NO3PSe
Molecular Weight342.28 g/mol
Exact Mass343.08
IUPAC Name4-dibutoxyphosphorylselenomorpholine
SMILESCCCCOP(=O)(OCCCC)N1CC[Se]CC1
InChIInChI=1S/C12H26NO3PSe/c1-3-5-9-15-17(14,16-10-6-4-2)13-7-11-18-12-8-13/h3-12H2,1-2H3
InChIKeyNXOYEHNNWLVWTB-UHFFFAOYSA-N
XLogP3.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.58
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-dipropoxyphosphorylpiperidine
CID 3767589
europium;tributyl phosphate
CID 90187569
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
1-diethoxyphosphorylpyrrolidine
CID 10750826
dibutyl hydrogen phosphate
CID 158586372
1-[butoxy((114C)methyl)(14C)phosphoryl]oxybutane
CID 12777600
1-[tert-butyl(methyl)phosphoryl]oxybutane
CID 89041281
butyl phosphate;titanium(2+)
CID 141032733
azane;butyl dihydrogen phosphate
CID 173333807
magnesium dibutyl phosphate
CID 21400580
benzene;tributyl phosphate
CID 69440959

Frequently Asked Questions

What is the IUPAC name of 4-dibutoxyphosphorylselenomorpholine?
The IUPAC name of 4-dibutoxyphosphorylselenomorpholine (CID 102520796) is 4-dibutoxyphosphorylselenomorpholine.
What is the SMILES notation for 4-dibutoxyphosphorylselenomorpholine?
The canonical SMILES for 4-dibutoxyphosphorylselenomorpholine is CCCCOP(=O)(OCCCC)N1CC[Se]CC1.
What is the InChIKey of 4-dibutoxyphosphorylselenomorpholine?
The InChIKey is NXOYEHNNWLVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO3PSe/c1-3-5-9-15-17(14,16-10-6-4-2)13-7-11-18-12-8-13/h3-12H2,1-2H3.
What are the key properties of 4-dibutoxyphosphorylselenomorpholine?
4-dibutoxyphosphorylselenomorpholine has a molecular weight of 342.28 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibutoxyphosphorylselenomorpholine is sourced from PubChem (CID 102520796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).