(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one

C13H28O2Si — CID 10977698

IUPAC(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
SMILESCC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(14)9-8-10-12(2)15-16(6,7)13(3,4)5/h12H,8-10H2,1-7H3/t12-/m0/s1
InChIKeyISUMSWUPVBVUEA-LBPRGKRZSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds6

About (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one

(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one (PubChem CID 10977698) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one.

Molecular Properties

Compound Name(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
PubChem CID10977698
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
SMILESCC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(14)9-8-10-12(2)15-16(6,7)13(3,4)5/h12H,8-10H2,1-7H3/t12-/m0/s1
InChIKeyISUMSWUPVBVUEA-LBPRGKRZSA-N
XLogP4.16
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 ≤ 54.16
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
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 11831251
Cyclohexanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 12927462
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268
6-Tri(propan-2-yl)silyloxyhexan-2-one
CID 10635941
(4R)-4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 10900820
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 13741476
6-[Tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
CID 25111742
5-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 85369670

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one?
The IUPAC name of (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one (CID 10977698) is (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one.
What is the SMILES notation for (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one?
The canonical SMILES for (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one is CC(=O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one?
The InChIKey is ISUMSWUPVBVUEA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(14)9-8-10-12(2)15-16(6,7)13(3,4)5/h12H,8-10H2,1-7H3/t12-/m0/s1.
What are the key properties of (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one?
(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one has a molecular weight of 244.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one is sourced from PubChem (CID 10977698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).