methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate

C12H26O3Si — CID 14763594

IUPACmethyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate
SMILESCOC(=O)C(C)(C)C(O[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)10(15-16(6,7)8)12(3,4)11(13)14-5/h9-10H,1-8H3
InChIKeyDCFVOIOVDRHOOT-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.06
Rot. Bonds5

About methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate

methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate (PubChem CID 14763594) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Namemethyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate
PubChem CID14763594
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namemethyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate
SMILESCOC(=O)C(C)(C)C(O[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)10(15-16(6,7)8)12(3,4)11(13)14-5/h9-10H,1-8H3
InChIKeyDCFVOIOVDRHOOT-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.06
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 2,2,4-trimethyl-3-trimethylsilyloxypentanoate?
The IUPAC name of methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate (CID 14763594) is methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate is COC(=O)C(C)(C)C(O[Si](C)(C)C)C(C)C.
What is the InChIKey of methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate?
The InChIKey is DCFVOIOVDRHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(2)10(15-16(6,7)8)12(3,4)11(13)14-5/h9-10H,1-8H3.
What are the key properties of methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate?
methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate has a molecular weight of 246.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,4-trimethyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 14763594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).