3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate

C17H36O3Si — CID 58275988

IUPAC3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate
SMILESCC(CC(C)(C)C)O[Si](C)(C)CCCOC(=O)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-14(13-16(2,3)4)20-21(8,9)12-10-11-19-15(18)17(5,6)7/h14H,10-13H2,1-9H3
InChIKeyNROJTXKBMCLGBE-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.01
Rot. Bonds7

About 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate

3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate (PubChem CID 58275988) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate
PubChem CID58275988
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate
SMILESCC(CC(C)(C)C)O[Si](C)(C)CCCOC(=O)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-14(13-16(2,3)4)20-21(8,9)12-10-11-19-15(18)17(5,6)7/h14H,10-13H2,1-9H3
InChIKeyNROJTXKBMCLGBE-UHFFFAOYSA-N
XLogP5.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate?
The IUPAC name of 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate (CID 58275988) is 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate.
What is the SMILES notation for 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate?
The canonical SMILES for 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate is CC(CC(C)(C)C)O[Si](C)(C)CCCOC(=O)C(C)(C)C.
What is the InChIKey of 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate?
The InChIKey is NROJTXKBMCLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-14(13-16(2,3)4)20-21(8,9)12-10-11-19-15(18)17(5,6)7/h14H,10-13H2,1-9H3.
What are the key properties of 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate?
3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate has a molecular weight of 316.56 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate is sourced from PubChem (CID 58275988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).