(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one

C16H32O2Si — CID 13228831

IUPAC(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one
SMILESCCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h13,15H,7-12H2,1-6H3/t15-/m0/s1
InChIKeyKPCQMUGOTUXNTL-HNNXBMFYSA-N
MW284.52 g/mol
LogP4.94
Rot. Bonds5

About (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one

(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one (PubChem CID 13228831) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one.

Molecular Properties

Compound Name(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one
PubChem CID13228831
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one
SMILESCCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h13,15H,7-12H2,1-6H3/t15-/m0/s1
InChIKeyKPCQMUGOTUXNTL-HNNXBMFYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one?
The IUPAC name of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one (CID 13228831) is (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one.
What is the SMILES notation for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one?
The canonical SMILES for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one is CCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one?
The InChIKey is KPCQMUGOTUXNTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h13,15H,7-12H2,1-6H3/t15-/m0/s1.
What are the key properties of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one?
(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one has a molecular weight of 284.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-one is sourced from PubChem (CID 13228831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).