5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide

C11H26BrNO2Si — CID 131665369

IUPAC5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide
SMILESBr.C[N+](C)(CCCCC(=O)[O-])C[Si](C)(C)C
InChIInChI=1S/C11H25NO2Si.BrH/c1-12(2,10-15(3,4)5)9-7-6-8-11(13)14;/h6-10H2,1-5H3;1H
InChIKeyLUMBOFJZOMZWMI-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.44
Rot. Bonds7

About 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide

5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide (PubChem CID 131665369) has the molecular formula C11H26BrNO2Si and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide.

Molecular Properties

Compound Name5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide
PubChem CID131665369
Molecular FormulaC11H26BrNO2Si
Molecular Weight312.32 g/mol
Exact Mass311.09
IUPAC Name5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide
SMILESBr.C[N+](C)(CCCCC(=O)[O-])C[Si](C)(C)C
InChIInChI=1S/C11H25NO2Si.BrH/c1-12(2,10-15(3,4)5)9-7-6-8-11(13)14;/h6-10H2,1-5H3;1H
InChIKeyLUMBOFJZOMZWMI-UHFFFAOYSA-N
XLogP1.44
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl(dioctadecyl)azanium;dodecanoate
CID 20560140
dihexadecyl(dimethyl)azanium;dodecanoate
CID 18702866
8-[decyl(dimethyl)azaniumyl]octanoate
CID 175686111
14-(trimethylazaniumyl)tetradecanoate
CID 172851889
16-(trimethylazaniumyl)hexadecanoate
CID 172771890
sodium;dimethyl(dioctadecyl)azanium;octadecanoate;chloride
CID 175319979
6-[cyanomethyl(dimethyl)azaniumyl]hexanoate
CID 58621855
sodium 5-trimethylsilylpentanoate
CID 157288154
butanoate;didecyl(dimethyl)azanium
CID 175270974
hexanoate;trimethyl(nonyl)azanium
CID 139992279
11-[2-hydroxytetradecyl(dimethyl)azaniumyl]undecanoate
CID 88683102
strontium hexanedioate
CID 134687758

Frequently Asked Questions

What is the IUPAC name of 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide?
The IUPAC name of 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide (CID 131665369) is 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide.
What is the SMILES notation for 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide?
The canonical SMILES for 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide is Br.C[N+](C)(CCCCC(=O)[O-])C[Si](C)(C)C.
What is the InChIKey of 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide?
The InChIKey is LUMBOFJZOMZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2Si.BrH/c1-12(2,10-15(3,4)5)9-7-6-8-11(13)14;/h6-10H2,1-5H3;1H.
What are the key properties of 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide?
5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide has a molecular weight of 312.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethyl(trimethylsilylmethyl)azaniumyl]pentanoate;hydrobromide is sourced from PubChem (CID 131665369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).