Se-hexyl N,N-dimethylcarbamoselenoate

C9H19NOSe — CID 102466834

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

About Se-hexyl N,N-dimethylcarbamoselenoate

Se-hexyl N,N-dimethylcarbamoselenoate (PubChem CID 102466834) has the molecular formula C9H19NOSe and a molecular weight of 236.22 g/mol. Its IUPAC name is Se-hexyl N,N-dimethylcarbamoselenoate.

Molecular Properties

Compound NameSe-hexyl N,N-dimethylcarbamoselenoate
PubChem CID102466834
Molecular FormulaC9H19NOSe
Molecular Weight236.22 g/mol
Exact Mass237.06
IUPAC NameSe-hexyl N,N-dimethylcarbamoselenoate
SMILESCCCCCC[Se]C(=O)N(C)C
InChIInChI=1S/C9H19NOSe/c1-4-5-6-7-8-12-9(11)10(2)3/h4-8H2,1-3H3
InChIKeySAHKGGQQVDLXMI-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

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Frequently Asked Questions

What is the IUPAC name of Se-hexyl N,N-dimethylcarbamoselenoate?
The IUPAC name of Se-hexyl N,N-dimethylcarbamoselenoate (CID 102466834) is Se-hexyl N,N-dimethylcarbamoselenoate.
What is the SMILES notation for Se-hexyl N,N-dimethylcarbamoselenoate?
The canonical SMILES for Se-hexyl N,N-dimethylcarbamoselenoate is CCCCCC[Se]C(=O)N(C)C.
What is the InChIKey of Se-hexyl N,N-dimethylcarbamoselenoate?
The InChIKey is SAHKGGQQVDLXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOSe/c1-4-5-6-7-8-12-9(11)10(2)3/h4-8H2,1-3H3.
What are the key properties of Se-hexyl N,N-dimethylcarbamoselenoate?
Se-hexyl N,N-dimethylcarbamoselenoate 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-hexyl N,N-dimethylcarbamoselenoate is sourced from PubChem (CID 102466834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).