methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate

C15H32O3Si — CID 99768813

IUPACmethyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate
SMILESCOC(=O)CCC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-14(2,3)19(7,8)18-12-11-15(4,5)10-9-13(16)17-6/h9-12H2,1-8H3
InChIKeyJTBWVHJAYLVEJC-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.38
Rot. Bonds7

About methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate

methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate (PubChem CID 99768813) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate.

Molecular Properties

Compound Namemethyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate
PubChem CID99768813
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Namemethyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate
SMILESCOC(=O)CCC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-14(2,3)19(7,8)18-12-11-15(4,5)10-9-13(16)17-6/h9-12H2,1-8H3
InChIKeyJTBWVHJAYLVEJC-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.38
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 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate?
The IUPAC name of methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate (CID 99768813) is methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate.
What is the SMILES notation for methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate?
The canonical SMILES for methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate is COC(=O)CCC(C)(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate?
The InChIKey is JTBWVHJAYLVEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-14(2,3)19(7,8)18-12-11-15(4,5)10-9-13(16)17-6/h9-12H2,1-8H3.
What are the key properties of methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate?
methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate has a molecular weight of 288.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanoate is sourced from PubChem (CID 99768813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).