sodium;hydride;octan-2-yl nitrite

C8H18NNaO2 — CID 174389700

IUPACsodium;hydride;octan-2-yl nitrite
SMILESCCCCCCC(C)ON=O.[H-].[Na+]
InChIInChI=1S/C8H17NO2.Na.H/c1-3-4-5-6-7-8(2)11-9-10;;/h8H,3-7H2,1-2H3;;/q;+1;-1
InChIKeyWPUXMHIZXNXYPK-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.16
Rot. Bonds7

About sodium;hydride;octan-2-yl nitrite

sodium;hydride;octan-2-yl nitrite (PubChem CID 174389700) has the molecular formula C8H18NNaO2 and a molecular weight of 183.23 g/mol. Its IUPAC name is sodium;hydride;octan-2-yl nitrite.

Molecular Properties

Compound Namesodium;hydride;octan-2-yl nitrite
PubChem CID174389700
Molecular FormulaC8H18NNaO2
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Namesodium;hydride;octan-2-yl nitrite
SMILESCCCCCCC(C)ON=O.[H-].[Na+]
InChIInChI=1S/C8H17NO2.Na.H/c1-3-4-5-6-7-8(2)11-9-10;;/h8H,3-7H2,1-2H3;;/q;+1;-1
InChIKeyWPUXMHIZXNXYPK-UHFFFAOYSA-N
XLogP0.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carboxy hydrogen carbonate;octan-2-yl nitrite
CID 174521360
2-ethylhexylphosphonic acid;octan-2-yl nitrite
CID 160730008
3,5-dimethylbenzoic acid;octan-2-yl nitrite
CID 160913925
9-(3-heptyloxiran-2-yl)nonanoic acid;octan-2-yl nitrite
CID 174364520
4-(dimethylamino)benzoic acid;octan-2-yl nitrite
CID 158388298
19-nitrosoheptatriacontane
CID 88669606
9-phenylnonan-2-yl nitrite
CID 174666928
8-phenyloctan-2-yl nitrite
CID 161142900
sodium;2-ethoxydodecane;hydride;sulfuric acid
CID 173094460
sodium;dioctan-2-yl (Z)-but-2-enedioate;hydride
CID 174987256
nonadecan-2-yl phosphate
CID 21219886
2-(2,4-dichlorophenoxy)acetic acid;octan-2-yl nitrite
CID 174751806

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;octan-2-yl nitrite?
The IUPAC name of sodium;hydride;octan-2-yl nitrite (CID 174389700) is sodium;hydride;octan-2-yl nitrite.
What is the SMILES notation for sodium;hydride;octan-2-yl nitrite?
The canonical SMILES for sodium;hydride;octan-2-yl nitrite is CCCCCCC(C)ON=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;octan-2-yl nitrite?
The InChIKey is WPUXMHIZXNXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.Na.H/c1-3-4-5-6-7-8(2)11-9-10;;/h8H,3-7H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;octan-2-yl nitrite?
sodium;hydride;octan-2-yl nitrite has a molecular weight of 183.23 g/mol, XLogP of 0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octan-2-yl nitrite is sourced from PubChem (CID 174389700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).