sodium 5-trimethylsilylpentanoate

C8H17NaO2Si — CID 157288154

IUPACsodium 5-trimethylsilylpentanoate
SMILESC[Si](C)(C)CCCCC(=O)[O-].[Na+]
InChIInChI=1S/C8H18O2Si.Na/c1-11(2,3)7-5-4-6-8(9)10;/h4-7H2,1-3H3,(H,9,10);/q;+1/p-1
InChIKeyBAMGEGQXWSOHBT-UHFFFAOYSA-M
MW196.30 g/mol
LogP-1.75
Rot. Bonds5

About sodium 5-trimethylsilylpentanoate

sodium 5-trimethylsilylpentanoate (PubChem CID 157288154) has the molecular formula C8H17NaO2Si and a molecular weight of 196.30 g/mol. Its IUPAC name is sodium 5-trimethylsilylpentanoate.

Molecular Properties

Compound Namesodium 5-trimethylsilylpentanoate
PubChem CID157288154
Molecular FormulaC8H17NaO2Si
Molecular Weight196.30 g/mol
Exact Mass196.09
IUPAC Namesodium 5-trimethylsilylpentanoate
SMILESC[Si](C)(C)CCCCC(=O)[O-].[Na+]
InChIInChI=1S/C8H18O2Si.Na/c1-11(2,3)7-5-4-6-8(9)10;/h4-7H2,1-3H3,(H,9,10);/q;+1/p-1
InChIKeyBAMGEGQXWSOHBT-UHFFFAOYSA-M
XLogP-1.75
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-1.75
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'}

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Related Compounds

disodium;undecanedioate
CID 15107599
tridecanedioate
CID 6994474
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758
cadmium(2+);hexanedioate
CID 19376883
sodium hentriacontanoate
CID 139987799
sodium heptadecanoate
CID 23663632
sodium pentadecanoate
CID 23663638
disodium;pentanedioate;hydrochloride
CID 175525255
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370

Frequently Asked Questions

What is the IUPAC name of sodium 5-trimethylsilylpentanoate?
The IUPAC name of sodium 5-trimethylsilylpentanoate (CID 157288154) is sodium 5-trimethylsilylpentanoate.
What is the SMILES notation for sodium 5-trimethylsilylpentanoate?
The canonical SMILES for sodium 5-trimethylsilylpentanoate is C[Si](C)(C)CCCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 5-trimethylsilylpentanoate?
The InChIKey is BAMGEGQXWSOHBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18O2Si.Na/c1-11(2,3)7-5-4-6-8(9)10;/h4-7H2,1-3H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 5-trimethylsilylpentanoate?
sodium 5-trimethylsilylpentanoate has a molecular weight of 196.30 g/mol, XLogP of -1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-trimethylsilylpentanoate is sourced from PubChem (CID 157288154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).