methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate

C14H30O3Si — CID 23297117

IUPACmethyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate
SMILESCOC(=O)C(C)(C)C(CC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H30O3Si/c1-13(2,3)10-11(17-18(7,8)9)14(4,5)12(15)16-6/h11H,10H2,1-9H3
InChIKeyJOZHZAZXXPDADU-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.84
Rot. Bonds5

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

methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate (PubChem CID 23297117) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Namemethyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate
PubChem CID23297117
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Namemethyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate
SMILESCOC(=O)C(C)(C)C(CC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H30O3Si/c1-13(2,3)10-11(17-18(7,8)9)14(4,5)12(15)16-6/h11H,10H2,1-9H3
InChIKeyJOZHZAZXXPDADU-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.84
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 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate?
The IUPAC name of methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate (CID 23297117) is methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate.
What is the SMILES notation for methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate?
The canonical SMILES for methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate is COC(=O)C(C)(C)C(CC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate?
The InChIKey is JOZHZAZXXPDADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-13(2,3)10-11(17-18(7,8)9)14(4,5)12(15)16-6/h11H,10H2,1-9H3.
What are the key properties of methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate?
methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate has a molecular weight of 274.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate is sourced from PubChem (CID 23297117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).