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

C11H24O2Si — CID 134841249

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
SMILESCC[C@H](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/t10-/m0/s1
InChIKeyKJSPWXZUWGVAJF-JTQLQIEISA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds4

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

(3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one (PubChem CID 134841249) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
PubChem CID134841249
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
SMILESCC[C@H](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/t10-/m0/s1
InChIKeyKJSPWXZUWGVAJF-JTQLQIEISA-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

(2R)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10987035
2-((Tert-butyldimethylsilyl)oxy)propanal
CID 10932206
(2S)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10954305
Acetoin, TMS derivative
CID 12739199
2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
3-[Tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 21195366
1-(tert-Butyldimethylsilyloxy)-2-propanone
CID 4124969
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 10488938
1-[Tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 11310202
(t-Butyldimethylsilyloxy)butanal
CID 13988776
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 25198747

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one (CID 134841249) is (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one is CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
The InChIKey is KJSPWXZUWGVAJF-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one?
(3S)-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 (3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one is sourced from PubChem (CID 134841249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).