decylseleninyl decane-1-seleninate

C20H42O3Se2 — CID 139266679

IUPACdecylseleninyl decane-1-seleninate
SMILESCCCCCCCCCC[Se](=O)O[Se](=O)CCCCCCCCCC
InChIInChI=1S/C20H42O3Se2/c1-3-5-7-9-11-13-15-17-19-24(21)23-25(22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyXMQCQZNFEPEXIJ-UHFFFAOYSA-N
MW488.47 g/mol
LogP7.12
Rot. Bonds20

About decylseleninyl decane-1-seleninate

decylseleninyl decane-1-seleninate (PubChem CID 139266679) has the molecular formula C20H42O3Se2 and a molecular weight of 488.47 g/mol. Its IUPAC name is decylseleninyl decane-1-seleninate.

Molecular Properties

Compound Namedecylseleninyl decane-1-seleninate
PubChem CID139266679
Molecular FormulaC20H42O3Se2
Molecular Weight488.47 g/mol
Exact Mass490.15
IUPAC Namedecylseleninyl decane-1-seleninate
SMILESCCCCCCCCCC[Se](=O)O[Se](=O)CCCCCCCCCC
InChIInChI=1S/C20H42O3Se2/c1-3-5-7-9-11-13-15-17-19-24(21)23-25(22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyXMQCQZNFEPEXIJ-UHFFFAOYSA-N
XLogP7.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 57.12
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'}

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Related Compounds

decane;ruthenium
CID 160818595
hexane;oxomercury
CID 174814256
disodium;decane;selenite
CID 174911287
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of decylseleninyl decane-1-seleninate?
The IUPAC name of decylseleninyl decane-1-seleninate (CID 139266679) is decylseleninyl decane-1-seleninate.
What is the SMILES notation for decylseleninyl decane-1-seleninate?
The canonical SMILES for decylseleninyl decane-1-seleninate is CCCCCCCCCC[Se](=O)O[Se](=O)CCCCCCCCCC.
What is the InChIKey of decylseleninyl decane-1-seleninate?
The InChIKey is XMQCQZNFEPEXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Se2/c1-3-5-7-9-11-13-15-17-19-24(21)23-25(22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of decylseleninyl decane-1-seleninate?
decylseleninyl decane-1-seleninate has a molecular weight of 488.47 g/mol, XLogP of 7.12, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decylseleninyl decane-1-seleninate is sourced from PubChem (CID 139266679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).