3-[tert-butyl(dimethyl)silyl]oxypentan-2-one

C11H24O2Si — CID 14861395

IUPAC3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
SMILESCCC(O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C11H24O2Si/c1-8-10(9(2)12)13-14(6,7)11(3,4)5/h10H,8H2,1-7H3
InChIKeyKJSPWXZUWGVAJF-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one

3-[tert-butyl(dimethyl)silyl]oxypentan-2-one (PubChem CID 14861395) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
PubChem CID14861395
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
SMILESCCC(O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C11H24O2Si/c1-8-10(9(2)12)13-14(6,7)11(3,4)5/h10H,8H2,1-7H3
InChIKeyKJSPWXZUWGVAJF-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one (CID 14861395) is 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one is CCC(O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The InChIKey is KJSPWXZUWGVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-8-10(9(2)12)13-14(6,7)11(3,4)5/h10H,8H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
3-[tert-butyl(dimethyl)silyl]oxypentan-2-one has a molecular weight of 216.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypentan-2-one is sourced from PubChem (CID 14861395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).