4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one

C17H36O3Si — CID 165060017

IUPAC4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one
SMILESCCC(COCC(C)(C)C)(O[Si](C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-11-17(20-21(8,9)10,14(18)16(5,6)7)13-19-12-15(2,3)4/h11-13H2,1-10H3
InChIKeyCHVKZAQCPIZDRP-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.66
Rot. Bonds7

About 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one

4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one (PubChem CID 165060017) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one
PubChem CID165060017
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one
SMILESCCC(COCC(C)(C)C)(O[Si](C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-11-17(20-21(8,9)10,14(18)16(5,6)7)13-19-12-15(2,3)4/h11-13H2,1-10H3
InChIKeyCHVKZAQCPIZDRP-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one
CID 176777346

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one?
The IUPAC name of 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one (CID 165060017) is 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one.
What is the SMILES notation for 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one?
The canonical SMILES for 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one is CCC(COCC(C)(C)C)(O[Si](C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one?
The InChIKey is CHVKZAQCPIZDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-11-17(20-21(8,9)10,14(18)16(5,6)7)13-19-12-15(2,3)4/h11-13H2,1-10H3.
What are the key properties of 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one?
4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one has a molecular weight of 316.56 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one is sourced from PubChem (CID 165060017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).