methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate

C14H28O4Si — CID 74025798

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
SMILESCCC(CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h12H,8-10H2,1-7H3
InChIKeyABCYHTOVYPAMIW-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.31
Rot. Bonds7

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate (PubChem CID 74025798) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
PubChem CID74025798
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
SMILESCCC(CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h12H,8-10H2,1-7H3
InChIKeyABCYHTOVYPAMIW-UHFFFAOYSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate (CID 74025798) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate is CCC(CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate?
The InChIKey is ABCYHTOVYPAMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h12H,8-10H2,1-7H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate has a molecular weight of 288.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate is sourced from PubChem (CID 74025798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).