(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one

C14H30O2Si — CID 135039894

IUPAC(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
SMILESCCC(=O)CC[C@@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-12(15)10-11-13(9-2)16-17(6,7)14(3,4)5/h13H,8-11H2,1-7H3/t13-/m1/s1
InChIKeyLOKHWJBDYBWAKZ-CYBMUJFWSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds7

About (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one

(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one (PubChem CID 135039894) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one.

Molecular Properties

Compound Name(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
PubChem CID135039894
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
SMILESCCC(=O)CC[C@@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-12(15)10-11-13(9-2)16-17(6,7)14(3,4)5/h13H,8-11H2,1-7H3/t13-/m1/s1
InChIKeyLOKHWJBDYBWAKZ-CYBMUJFWSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.55
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

4-(tert-Butyldimethylsilyloxy)cyclohexanone
CID 10609430
2-Hexanone, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10922346
5-(Tert-butyldimethylsilyloxy)cyclooctanone
CID 10978090
4-[(Trimethylsilyl)oxy]cyclohexanone
CID 53439909
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
4-[Tert-butyl(dimethyl)silyl]oxyoctanal
CID 102129337
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268
4-[Tert-butyl(dimethyl)silyl]peroxyoctan-2-one
CID 10612403
1-[Tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 10682669
(4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 10900820
4-Tri(propan-2-yl)silyloxycyclohexan-1-one
CID 11000139
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 56837874

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The IUPAC name of (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one (CID 135039894) is (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one.
What is the SMILES notation for (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The canonical SMILES for (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one is CCC(=O)CC[C@@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
The InChIKey is LOKHWJBDYBWAKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-12(15)10-11-13(9-2)16-17(6,7)14(3,4)5/h13H,8-11H2,1-7H3/t13-/m1/s1.
What are the key properties of (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one?
(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one has a molecular weight of 258.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one is sourced from PubChem (CID 135039894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).