Se-butyl N,N-diethylcarbamoselenoate

C9H19NOSe — CID 12504372

IUPACSe-butyl N,N-diethylcarbamoselenoate
SMILESCCCC[Se]C(=O)N(CC)CC
InChIInChI=1S/C9H19NOSe/c1-4-7-8-12-9(11)10(5-2)6-3/h4-8H2,1-3H3
InChIKeyBUNKHYKODPGCJR-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.37
Rot. Bonds6

About Se-butyl N,N-diethylcarbamoselenoate

Se-butyl N,N-diethylcarbamoselenoate (PubChem CID 12504372) has the molecular formula C9H19NOSe and a molecular weight of 236.22 g/mol. Its IUPAC name is Se-butyl N,N-diethylcarbamoselenoate.

Molecular Properties

Compound NameSe-butyl N,N-diethylcarbamoselenoate
PubChem CID12504372
Molecular FormulaC9H19NOSe
Molecular Weight236.22 g/mol
Exact Mass237.06
IUPAC NameSe-butyl N,N-diethylcarbamoselenoate
SMILESCCCC[Se]C(=O)N(CC)CC
InChIInChI=1S/C9H19NOSe/c1-4-7-8-12-9(11)10(5-2)6-3/h4-8H2,1-3H3
InChIKeyBUNKHYKODPGCJR-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Te-butyl N,N-diethylcarbamotelluroate
CID 14592928
[Ethyl(propyl)amino]methanone;propane;pentakis(vanadium)
CID 145678233
N,N,1,1,1-Pentaethylgermanecarboxamide
CID 12933413
Se-(diethylcarbamoylselanyl) N,N-diethylcarbamoselenoate
CID 14149349
CID 14717755
CID 14717755
CID 14717765
CID 14717765
CID 87108439
CID 87108439
CID 87477723
CID 87477723
N,N-dibutylcarbamoselenoate
CID 137302661
N,N-diethylcarbamoselenoate
CID 137316023

Frequently Asked Questions

What is the IUPAC name of Se-butyl N,N-diethylcarbamoselenoate?
The IUPAC name of Se-butyl N,N-diethylcarbamoselenoate (CID 12504372) is Se-butyl N,N-diethylcarbamoselenoate.
What is the SMILES notation for Se-butyl N,N-diethylcarbamoselenoate?
The canonical SMILES for Se-butyl N,N-diethylcarbamoselenoate is CCCC[Se]C(=O)N(CC)CC.
What is the InChIKey of Se-butyl N,N-diethylcarbamoselenoate?
The InChIKey is BUNKHYKODPGCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOSe/c1-4-7-8-12-9(11)10(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of Se-butyl N,N-diethylcarbamoselenoate?
Se-butyl N,N-diethylcarbamoselenoate has a molecular weight of 236.22 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-butyl N,N-diethylcarbamoselenoate is sourced from PubChem (CID 12504372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).