Se-butyl pentaneselenoate

C9H18OSe — CID 10798996

IUPACSe-butyl pentaneselenoate
SMILESCCCC[Se]C(=O)CCCC
InChIInChI=1S/C9H18OSe/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChIKeyQICNIASPGMAXAY-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.63
Rot. Bonds7

About Se-butyl pentaneselenoate

Se-butyl pentaneselenoate (PubChem CID 10798996) has the molecular formula C9H18OSe and a molecular weight of 221.20 g/mol. Its IUPAC name is Se-butyl pentaneselenoate.

Molecular Properties

Compound NameSe-butyl pentaneselenoate
PubChem CID10798996
Molecular FormulaC9H18OSe
Molecular Weight221.20 g/mol
Exact Mass222.05
IUPAC NameSe-butyl pentaneselenoate
SMILESCCCC[Se]C(=O)CCCC
InChIInChI=1S/C9H18OSe/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChIKeyQICNIASPGMAXAY-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.63
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

Se-butyl N,N-diethylcarbamoselenoate
CID 12504372
copper;2-oxohexanoic acid
CID 88811226
CID 91530241
CID 91530241
hydroxy-oxo-pentanoylphosphanium
CID 175157620
oxalonitrile;pentanoic acid
CID 160836976
pentanoic acid;stannane
CID 173249748
pentanoic acid;silver
CID 87285302
CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
ethane;pentanoic acid
CID 142198531
Se-hexyl N,N-dimethylcarbamoselenoate
CID 102466834
(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene
CID 11057373

Frequently Asked Questions

What is the IUPAC name of Se-butyl pentaneselenoate?
The IUPAC name of Se-butyl pentaneselenoate (CID 10798996) is Se-butyl pentaneselenoate.
What is the SMILES notation for Se-butyl pentaneselenoate?
The canonical SMILES for Se-butyl pentaneselenoate is CCCC[Se]C(=O)CCCC.
What is the InChIKey of Se-butyl pentaneselenoate?
The InChIKey is QICNIASPGMAXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSe/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of Se-butyl pentaneselenoate?
Se-butyl pentaneselenoate has a molecular weight of 221.20 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-butyl pentaneselenoate is sourced from PubChem (CID 10798996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).