[tert-butyl(dimethyl)silyl] 2-oxooctanoate

C14H28O3Si — CID 91696537

IUPAC[tert-butyl(dimethyl)silyl] 2-oxooctanoate
SMILESCCCCCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-8-9-10-11-12(15)13(16)17-18(5,6)14(2,3)4/h7-11H2,1-6H3
InChIKeyRFRRDXQYZYYQSQ-UHFFFAOYSA-N
MW272.46 g/mol
LogP4.07
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] 2-oxooctanoate

[tert-butyl(dimethyl)silyl] 2-oxooctanoate (PubChem CID 91696537) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-oxooctanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-oxooctanoate
PubChem CID91696537
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[tert-butyl(dimethyl)silyl] 2-oxooctanoate
SMILESCCCCCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-8-9-10-11-12(15)13(16)17-18(5,6)14(2,3)4/h7-11H2,1-6H3
InChIKeyRFRRDXQYZYYQSQ-UHFFFAOYSA-N
XLogP4.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
[tert-butyl(dimethyl)silyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
CID 91697184
hexadecyl 2-oxooctanoate
CID 145051782
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
ethyl 2-oxoheptanoate
CID 11745091
octadecane-9,10-dione
CID 10902085
nonatriacontane-16,17-dione
CID 175447711
prop-2-enyl 2-oxooctadecanoate
CID 140945960
[tert-butyl(dimethyl)silyl] icosa-5,8,11-triynoate
CID 91697197
tert-butyl 2,3-dioxooctadecanoate
CID 10499282

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-oxooctanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-oxooctanoate (CID 91696537) is [tert-butyl(dimethyl)silyl] 2-oxooctanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-oxooctanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-oxooctanoate is CCCCCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-oxooctanoate?
The InChIKey is RFRRDXQYZYYQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-8-9-10-11-12(15)13(16)17-18(5,6)14(2,3)4/h7-11H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-oxooctanoate?
[tert-butyl(dimethyl)silyl] 2-oxooctanoate has a molecular weight of 272.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-oxooctanoate is sourced from PubChem (CID 91696537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).