sodium;hydride;octanoic acid;selane

C8H19NaO2Se — CID 174677652

IUPACsodium;hydride;octanoic acid;selane
SMILESCCCCCCCC(=O)O.[H-].[Na+].[SeH2]
InChIInChI=1S/C8H16O2.Na.H2Se.H/c1-2-3-4-5-6-7-8(9)10;;;/h2-7H2,1H3,(H,9,10);;1H2;/q;+1;;-1
InChIKeyYJUYHIYXNSQZAE-UHFFFAOYSA-N
MW249.19 g/mol
LogP-1.37
Rot. Bonds6

About sodium;hydride;octanoic acid;selane

sodium;hydride;octanoic acid;selane (PubChem CID 174677652) has the molecular formula C8H19NaO2Se and a molecular weight of 249.19 g/mol. Its IUPAC name is sodium;hydride;octanoic acid;selane.

Molecular Properties

Compound Namesodium;hydride;octanoic acid;selane
PubChem CID174677652
Molecular FormulaC8H19NaO2Se
Molecular Weight249.19 g/mol
Exact Mass250.04
IUPAC Namesodium;hydride;octanoic acid;selane
SMILESCCCCCCCC(=O)O.[H-].[Na+].[SeH2]
InChIInChI=1S/C8H16O2.Na.H2Se.H/c1-2-3-4-5-6-7-8(9)10;;;/h2-7H2,1H3,(H,9,10);;1H2;/q;+1;;-1
InChIKeyYJUYHIYXNSQZAE-UHFFFAOYSA-N
XLogP-1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
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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CID 173314479
disodium;hydride;tetradecanoic acid
CID 175149200
disodium;hydride;icosanoic acid
CID 175560905
sodium;dodecanoic acid;hydride
CID 173060618
disodium;hexadecanoic acid;hydride;hydrate
CID 174056425
calcium;hydride;tritriacontanoic acid
CID 173321714
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
barium(2+);hydride;tridecanoic acid
CID 174792677
calcium;hydride;nonacosanoic acid
CID 173321722
calcium;hydride;bis(octanoic acid)
CID 174951959
calcium;dodecanoic acid;hydride
CID 172998116
sodium;carbanide;tetradecanoic acid
CID 160620546

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;octanoic acid;selane?
The IUPAC name of sodium;hydride;octanoic acid;selane (CID 174677652) is sodium;hydride;octanoic acid;selane.
What is the SMILES notation for sodium;hydride;octanoic acid;selane?
The canonical SMILES for sodium;hydride;octanoic acid;selane is CCCCCCCC(=O)O.[H-].[Na+].[SeH2].
What is the InChIKey of sodium;hydride;octanoic acid;selane?
The InChIKey is YJUYHIYXNSQZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Na.H2Se.H/c1-2-3-4-5-6-7-8(9)10;;;/h2-7H2,1H3,(H,9,10);;1H2;/q;+1;;-1.
What are the key properties of sodium;hydride;octanoic acid;selane?
sodium;hydride;octanoic acid;selane has a molecular weight of 249.19 g/mol, XLogP of -1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octanoic acid;selane is sourced from PubChem (CID 174677652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).