(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one

C12H26O2Si — CID 11746464

IUPAC(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one
SMILESCC(=O)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyONFFBAUWWOEMMS-JTQLQIEISA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds5

About (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one

(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one (PubChem CID 11746464) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one.

Molecular Properties

Compound Name(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one
PubChem CID11746464
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one
SMILESCC(=O)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyONFFBAUWWOEMMS-JTQLQIEISA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.62
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
1-[Tert-butyl(dimethyl)silyl]oxypentane-2,4-dione
CID 59748577
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
CID 10377185
(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one
CID 10657116
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 11138971
(2R,4R)-2-methyl-4-triethylsilyloxypentanal
CID 11379230
(2R)-2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71351358
3,5-Dimethyl-6-triethylsilyloxyhexan-2-one
CID 72985644
6-[Tert-butyl(dimethyl)silyl]oxy-4-methylhexan-3-one
CID 101776532
5-[Tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one
CID 122214304
5-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one
CID 10332089
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 11368226

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one?
The IUPAC name of (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one (CID 11746464) is (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one.
What is the SMILES notation for (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one?
The canonical SMILES for (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one is CC(=O)C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one?
The InChIKey is ONFFBAUWWOEMMS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one?
(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one has a molecular weight of 230.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one is sourced from PubChem (CID 11746464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).