tripropylsilyl 3-methylbutanoate

C14H30O2Si — CID 170847761

IUPACtripropylsilyl 3-methylbutanoate
SMILESCCC[Si](CCC)(CCC)OC(=O)CC(C)C
InChIInChI=1S/C14H30O2Si/c1-6-9-17(10-7-2,11-8-3)16-14(15)12-13(4)5/h13H,6-12H2,1-5H3
InChIKeyYDKHZDFWJXWSMV-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.75
Rot. Bonds9

About tripropylsilyl 3-methylbutanoate

tripropylsilyl 3-methylbutanoate (PubChem CID 170847761) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is tripropylsilyl 3-methylbutanoate.

Molecular Properties

Compound Nametripropylsilyl 3-methylbutanoate
PubChem CID170847761
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Nametripropylsilyl 3-methylbutanoate
SMILESCCC[Si](CCC)(CCC)OC(=O)CC(C)C
InChIInChI=1S/C14H30O2Si/c1-6-9-17(10-7-2,11-8-3)16-14(15)12-13(4)5/h13H,6-12H2,1-5H3
InChIKeyYDKHZDFWJXWSMV-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butanoic acid, 3-methyl-, trimethylsilyl ester
CID 187882
2-Methylpentanoic acid trimethylsilyl ester
CID 13862003
tert-Butyl(dimethyl)silyl pentanoate
CID 528100
tert-Butyl(dimethyl)silyl propionate
CID 528101
Trimethylsilyl 3,3-dimethylbutanoate
CID 2733558
Butanoic acid, 3-methyl-2-oxo-, trimethylsilyl ester
CID 85989096
Trimethylsilyl 2-methylbutanoate
CID 521654
Butanoic acid, triethylsilyl ester
CID 599320
Butanoic acid, DMTBS
CID 528096
4-Methylvaleric acid, trimethylsilyl ester
CID 554430
Tri-n-butylsilyl isobutyrate
CID 101197223
Trimethylsilyl 2-ethylbutanoate
CID 13813130

Frequently Asked Questions

What is the IUPAC name of tripropylsilyl 3-methylbutanoate?
The IUPAC name of tripropylsilyl 3-methylbutanoate (CID 170847761) is tripropylsilyl 3-methylbutanoate.
What is the SMILES notation for tripropylsilyl 3-methylbutanoate?
The canonical SMILES for tripropylsilyl 3-methylbutanoate is CCC[Si](CCC)(CCC)OC(=O)CC(C)C.
What is the InChIKey of tripropylsilyl 3-methylbutanoate?
The InChIKey is YDKHZDFWJXWSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-6-9-17(10-7-2,11-8-3)16-14(15)12-13(4)5/h13H,6-12H2,1-5H3.
What are the key properties of tripropylsilyl 3-methylbutanoate?
tripropylsilyl 3-methylbutanoate has a molecular weight of 258.48 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tripropylsilyl 3-methylbutanoate is sourced from PubChem (CID 170847761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).