trimethylsilyl 2-methylpropanoate

C7H16O2Si — CID 552434

IUPACtrimethylsilyl 2-methylpropanoate
SMILESCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C7H16O2Si/c1-6(2)7(8)9-10(3,4)5/h6H,1-5H3
InChIKeyIHTVTNNAFDOJBO-UHFFFAOYSA-N
MW160.29 g/mol
LogP2.02
Rot. Bonds2

About trimethylsilyl 2-methylpropanoate

trimethylsilyl 2-methylpropanoate (PubChem CID 552434) has the molecular formula C7H16O2Si and a molecular weight of 160.29 g/mol. Its IUPAC name is trimethylsilyl 2-methylpropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylpropanoate
PubChem CID552434
Molecular FormulaC7H16O2Si
Molecular Weight160.29 g/mol
Exact Mass160.09
IUPAC Nametrimethylsilyl 2-methylpropanoate
SMILESCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C7H16O2Si/c1-6(2)7(8)9-10(3,4)5/h6H,1-5H3
InChIKeyIHTVTNNAFDOJBO-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 52.02
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

Silanol, trimethyl-, propanoate
CID 519321
Butanoic acid, 3-methyl-, trimethylsilyl ester
CID 187882
Butanoic acid, trimethylsilyl ester
CID 519322
Trimethyl(pivaloyloxy)silane
CID 11041219
Triethylsilyl propionate
CID 594353
Propanoic acid, tripropylsilyl ester
CID 604402
tert-Butyl(dimethyl)silyl propionate
CID 528101
Propanoic acid, triisopropylsilyl ester
CID 604389
Trimethylsilyl 2-methylbutanoate
CID 521654
tert-Butyldimethylsilyl acetate
CID 528094
Dimethyldipropionoxysilane
CID 88216664
Trimethylsilyl propionate-d4
CID 89904807

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methylpropanoate?
The IUPAC name of trimethylsilyl 2-methylpropanoate (CID 552434) is trimethylsilyl 2-methylpropanoate.
What is the SMILES notation for trimethylsilyl 2-methylpropanoate?
The canonical SMILES for trimethylsilyl 2-methylpropanoate is CC(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylpropanoate?
The InChIKey is IHTVTNNAFDOJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2Si/c1-6(2)7(8)9-10(3,4)5/h6H,1-5H3.
What are the key properties of trimethylsilyl 2-methylpropanoate?
trimethylsilyl 2-methylpropanoate has a molecular weight of 160.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylpropanoate is sourced from PubChem (CID 552434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).