sodium;bromo octanoate;hydride

C8H16BrNaO2 — CID 174796698

IUPACsodium;bromo octanoate;hydride
SMILESCCCCCCCC(=O)OBr.[H-].[Na+]
InChIInChI=1S/C8H15BrO2.Na.H/c1-2-3-4-5-6-7-8(10)11-9;;/h2-7H2,1H3;;/q;+1;-1
InChIKeyVERXXCRQPLLHGL-UHFFFAOYSA-N
MW247.11 g/mol
LogP0.32
Rot. Bonds6

About sodium;bromo octanoate;hydride

sodium;bromo octanoate;hydride (PubChem CID 174796698) has the molecular formula C8H16BrNaO2 and a molecular weight of 247.11 g/mol. Its IUPAC name is sodium;bromo octanoate;hydride.

Molecular Properties

Compound Namesodium;bromo octanoate;hydride
PubChem CID174796698
Molecular FormulaC8H16BrNaO2
Molecular Weight247.11 g/mol
Exact Mass246.02
IUPAC Namesodium;bromo octanoate;hydride
SMILESCCCCCCCC(=O)OBr.[H-].[Na+]
InChIInChI=1S/C8H15BrO2.Na.H/c1-2-3-4-5-6-7-8(10)11-9;;/h2-7H2,1H3;;/q;+1;-1
InChIKeyVERXXCRQPLLHGL-UHFFFAOYSA-N
XLogP0.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;octanoyl octadecanoate
CID 173299765
sodium;ethyl octadecanoate;hydride
CID 174731148
sodium;2-dodecanoyloxyethyl octadecanoate;hydride
CID 174887882
trisodium;hydride;phosphono octadecanoate
CID 175375815
dimagnesium;hydride;octanoyl nonanoate
CID 173350216
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
sodium;hydride;octadecyl hexadecanoate
CID 174467496
sodium;carboxy octadecanoate;hydride
CID 174446369
sodium;hydride;hydroxymethyl tridecanoate
CID 175516324
heptanoyl octaneperoxoate
CID 142686679
ditetradecanoyl hexanedioate
CID 175560209

Frequently Asked Questions

What is the IUPAC name of sodium;bromo octanoate;hydride?
The IUPAC name of sodium;bromo octanoate;hydride (CID 174796698) is sodium;bromo octanoate;hydride.
What is the SMILES notation for sodium;bromo octanoate;hydride?
The canonical SMILES for sodium;bromo octanoate;hydride is CCCCCCCC(=O)OBr.[H-].[Na+].
What is the InChIKey of sodium;bromo octanoate;hydride?
The InChIKey is VERXXCRQPLLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2.Na.H/c1-2-3-4-5-6-7-8(10)11-9;;/h2-7H2,1H3;;/q;+1;-1.
What are the key properties of sodium;bromo octanoate;hydride?
sodium;bromo octanoate;hydride has a molecular weight of 247.11 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bromo octanoate;hydride is sourced from PubChem (CID 174796698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).