trimethylsilylmethyl pentanoate

C9H20O2Si — CID 91696722

IUPACtrimethylsilylmethyl pentanoate
SMILESCCCCC(=O)OC[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-6-7-9(10)11-8-12(2,3)4/h5-8H2,1-4H3
InChIKeyKHFXHFIVKRQFLW-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.60
Rot. Bonds5

About trimethylsilylmethyl pentanoate

trimethylsilylmethyl pentanoate (PubChem CID 91696722) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is trimethylsilylmethyl pentanoate.

Molecular Properties

Compound Nametrimethylsilylmethyl pentanoate
PubChem CID91696722
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nametrimethylsilylmethyl pentanoate
SMILESCCCCC(=O)OC[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-6-7-9(10)11-8-12(2,3)4/h5-8H2,1-4H3
InChIKeyKHFXHFIVKRQFLW-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethyl pentanoate?
The IUPAC name of trimethylsilylmethyl pentanoate (CID 91696722) is trimethylsilylmethyl pentanoate.
What is the SMILES notation for trimethylsilylmethyl pentanoate?
The canonical SMILES for trimethylsilylmethyl pentanoate is CCCCC(=O)OC[Si](C)(C)C.
What is the InChIKey of trimethylsilylmethyl pentanoate?
The InChIKey is KHFXHFIVKRQFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-6-7-9(10)11-8-12(2,3)4/h5-8H2,1-4H3.
What are the key properties of trimethylsilylmethyl pentanoate?
trimethylsilylmethyl pentanoate has a molecular weight of 188.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl pentanoate is sourced from PubChem (CID 91696722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).