[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate

C15H30O3Si — CID 23067022

IUPAC[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
SMILESCCC(=O)C(C)(C)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-9-12(16)15(5,6)11-10-13(17)18-19(7,8)14(2,3)4/h9-11H2,1-8H3
InChIKeyNFENAEFNPMSLFI-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.32
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate

[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate (PubChem CID 23067022) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
PubChem CID23067022
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
SMILESCCC(=O)C(C)(C)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-9-12(16)15(5,6)11-10-13(17)18-19(7,8)14(2,3)4/h9-11H2,1-8H3
InChIKeyNFENAEFNPMSLFI-UHFFFAOYSA-N
XLogP4.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.32
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

bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
CID 91713351
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
CID 91719359
[tert-butyl(dimethyl)silyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
CID 91697184
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
CID 58473369

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate (CID 23067022) is [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate is CCC(=O)C(C)(C)CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate?
The InChIKey is NFENAEFNPMSLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-12(16)15(5,6)11-10-13(17)18-19(7,8)14(2,3)4/h9-11H2,1-8H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate?
[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate has a molecular weight of 286.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate is sourced from PubChem (CID 23067022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).