(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one

C13H28O2Si — CID 10377185

IUPAC(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
SMILESCC(=O)C[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(10-12(2)14)8-9-15-16(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyWJOBUKSTMJDEHN-LLVKDONJSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds6

About (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one

(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one (PubChem CID 10377185) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one.

Molecular Properties

Compound Name(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
PubChem CID10377185
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
SMILESCC(=O)C[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(10-12(2)14)8-9-15-16(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyWJOBUKSTMJDEHN-LLVKDONJSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
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

2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
2-Hexanone, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10922346
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
2-[Tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone
CID 59254752
6-Tri(propan-2-yl)silyloxyhexan-2-one
CID 10635941
(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one
CID 10657116
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
2-[Tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 13398604
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 14014588
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 21579085
3,5-Dimethyl-6-triethylsilyloxyhexan-2-one
CID 72985644
6-[Tert-butyl(dimethyl)silyl]oxy-4-methylhexan-3-one
CID 101776532

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one?
The IUPAC name of (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one (CID 10377185) is (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one.
What is the SMILES notation for (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one?
The canonical SMILES for (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one is CC(=O)C[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one?
The InChIKey is WJOBUKSTMJDEHN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(10-12(2)14)8-9-15-16(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1.
What are the key properties of (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one?
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one has a molecular weight of 244.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one is sourced from PubChem (CID 10377185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).