(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one

C14H30O2Si — CID 10244268

IUPAC(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
SMILESCCCC(=O)CC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyCPQFFYWLIMAXBQ-LBPRGKRZSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds7

About (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one

(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one (PubChem CID 10244268) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one.

Molecular Properties

Compound Name(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
PubChem CID10244268
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
SMILESCCCC(=O)CC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyCPQFFYWLIMAXBQ-LBPRGKRZSA-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
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
1-[Tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 10682669
(4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 10900820
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 56837874
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
(4S)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 102293907
(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one
CID 134838241
(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 135039894
7-Tri(propan-2-yl)silyloxyheptane-3,4-dione
CID 10881140

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one?
The IUPAC name of (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one (CID 10244268) is (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one.
What is the SMILES notation for (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one?
The canonical SMILES for (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one is CCCC(=O)CC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one?
The InChIKey is CPQFFYWLIMAXBQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m0/s1.
What are the key properties of (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one?
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-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 (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one is sourced from PubChem (CID 10244268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).