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

C11H24O2Si — CID 15142243

IUPAC4-[tert-butyl(dimethyl)silyl]oxypentan-2-one
SMILESCC(=O)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h10H,8H2,1-7H3
InChIKeyUBMZJHKGJKVSCE-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one

4-[tert-butyl(dimethyl)silyl]oxypentan-2-one (PubChem CID 15142243) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxypentan-2-one
PubChem CID15142243
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxypentan-2-one
SMILESCC(=O)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h10H,8H2,1-7H3
InChIKeyUBMZJHKGJKVSCE-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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Related Compounds

5-[(Tert-butyldimethylsilyl)oxy]pentan-2-one
CID 10680263
3-((Tert-butyldimethylsilyl)oxy)pentanal
CID 14280331
3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)cyclobutanone
CID 57515853
1-((Tert-butyldimethylsilyl)oxy)hexan-3-one
CID 58354548
3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 10488938
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10846404
4-[(tert-Butyldimethylsilyl)oxy]butan-2-one
CID 11030898
Butanal, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (R)-
CID 11117121
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 11379231
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 25198747

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one (CID 15142243) is 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one is CC(=O)CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The InChIKey is UBMZJHKGJKVSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h10H,8H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
4-[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 4-[tert-butyl(dimethyl)silyl]oxypentan-2-one is sourced from PubChem (CID 15142243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).