dimethylsilyl 4-methylpentanoate

C8H18O2Si — CID 123289315

IUPACdimethylsilyl 4-methylpentanoate
SMILESCC(C)CCC(=O)O[SiH](C)C
InChIInChI=1S/C8H18O2Si/c1-7(2)5-6-8(9)10-11(3)4/h7,11H,5-6H2,1-4H3
InChIKeyXBOFKMNSYHNMFX-UHFFFAOYSA-N
MW174.32 g/mol
LogP1.95
Rot. Bonds4

About dimethylsilyl 4-methylpentanoate

dimethylsilyl 4-methylpentanoate (PubChem CID 123289315) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is dimethylsilyl 4-methylpentanoate.

Molecular Properties

Compound Namedimethylsilyl 4-methylpentanoate
PubChem CID123289315
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Namedimethylsilyl 4-methylpentanoate
SMILESCC(C)CCC(=O)O[SiH](C)C
InChIInChI=1S/C8H18O2Si/c1-7(2)5-6-8(9)10-11(3)4/h7,11H,5-6H2,1-4H3
InChIKeyXBOFKMNSYHNMFX-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 51.95
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 dimethylsilyl 4-methylpentanoate?
The IUPAC name of dimethylsilyl 4-methylpentanoate (CID 123289315) is dimethylsilyl 4-methylpentanoate.
What is the SMILES notation for dimethylsilyl 4-methylpentanoate?
The canonical SMILES for dimethylsilyl 4-methylpentanoate is CC(C)CCC(=O)O[SiH](C)C.
What is the InChIKey of dimethylsilyl 4-methylpentanoate?
The InChIKey is XBOFKMNSYHNMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-7(2)5-6-8(9)10-11(3)4/h7,11H,5-6H2,1-4H3.
What are the key properties of dimethylsilyl 4-methylpentanoate?
dimethylsilyl 4-methylpentanoate has a molecular weight of 174.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl 4-methylpentanoate is sourced from PubChem (CID 123289315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).