methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate

C13H28O3Si — CID 10923291

IUPACmethyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate
SMILESCOC(=O)C(C)(C)C(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(2)9-11(16-17(6,7)8)13(3,4)12(14)15-5/h10-11H,9H2,1-8H3
InChIKeySAMSVGIACKCNAK-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.45
Rot. Bonds6

About methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate

methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate (PubChem CID 10923291) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Namemethyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate
PubChem CID10923291
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate
SMILESCOC(=O)C(C)(C)C(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(2)9-11(16-17(6,7)8)13(3,4)12(14)15-5/h10-11H,9H2,1-8H3
InChIKeySAMSVGIACKCNAK-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate?
The IUPAC name of methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate (CID 10923291) is methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate.
What is the SMILES notation for methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate?
The canonical SMILES for methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate is COC(=O)C(C)(C)C(CC(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate?
The InChIKey is SAMSVGIACKCNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(2)9-11(16-17(6,7)8)13(3,4)12(14)15-5/h10-11H,9H2,1-8H3.
What are the key properties of methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate?
methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate has a molecular weight of 260.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate is sourced from PubChem (CID 10923291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).