2-tripentylsilylacetic acid

C17H36O2Si — CID 87284037

IUPAC2-tripentylsilylacetic acid
SMILESCCCCC[Si](CCCCC)(CCCCC)CC(=O)O
InChIInChI=1S/C17H36O2Si/c1-4-7-10-13-20(16-17(18)19,14-11-8-5-2)15-12-9-6-3/h4-16H2,1-3H3,(H,18,19)
InChIKeyCPPMSMODFOAHLJ-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.09
Rot. Bonds14

About 2-tripentylsilylacetic acid

2-tripentylsilylacetic acid (PubChem CID 87284037) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-tripentylsilylacetic acid.

Molecular Properties

Compound Name2-tripentylsilylacetic acid
PubChem CID87284037
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2-tripentylsilylacetic acid
SMILESCCCCC[Si](CCCCC)(CCCCC)CC(=O)O
InChIInChI=1S/C17H36O2Si/c1-4-7-10-13-20(16-17(18)19,14-11-8-5-2)15-12-9-6-3/h4-16H2,1-3H3,(H,18,19)
InChIKeyCPPMSMODFOAHLJ-UHFFFAOYSA-N
XLogP6.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.09
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

carbonic acid;bis(hexane)
CID 173367789
decane;propanoic acid
CID 158826686
butanoic acid;octakis(hexane)
CID 173316169
azane;dodecane;propanoic acid
CID 173003652
triethyl(octacosyl)silane
CID 173084780
hydroxy-dimethyl-pentylsilane
CID 19901854
butanoic acid;hexane
CID 173374540
bis(butanedioic acid);decane
CID 159628544
tris(2-methylprop-2-enyl)-octadecylsilane
CID 102166231
diazanium;octadecanoic acid;hydroxide
CID 22561396
acetic acid;decane
CID 172853582
icosane;oxalic acid
CID 175691290

Frequently Asked Questions

What is the IUPAC name of 2-tripentylsilylacetic acid?
The IUPAC name of 2-tripentylsilylacetic acid (CID 87284037) is 2-tripentylsilylacetic acid.
What is the SMILES notation for 2-tripentylsilylacetic acid?
The canonical SMILES for 2-tripentylsilylacetic acid is CCCCC[Si](CCCCC)(CCCCC)CC(=O)O.
What is the InChIKey of 2-tripentylsilylacetic acid?
The InChIKey is CPPMSMODFOAHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-4-7-10-13-20(16-17(18)19,14-11-8-5-2)15-12-9-6-3/h4-16H2,1-3H3,(H,18,19).
What are the key properties of 2-tripentylsilylacetic acid?
2-tripentylsilylacetic acid has a molecular weight of 300.56 g/mol, XLogP of 6.09, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tripentylsilylacetic acid is sourced from PubChem (CID 87284037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).