(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one

C14H28O3Si — CID 10849827

IUPAC(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one
SMILESC[C@H]1CCC(=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-11-7-8-13(15)17-12(11)9-10-16-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyLIZGSPDBZZRNEU-NWDGAFQWSA-N
MW272.46 g/mol
LogP3.74
Rot. Bonds4

About (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one

(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one (PubChem CID 10849827) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one.

Molecular Properties

Compound Name(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one
PubChem CID10849827
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one
SMILESC[C@H]1CCC(=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-11-7-8-13(15)17-12(11)9-10-16-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyLIZGSPDBZZRNEU-NWDGAFQWSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Ethyltetrahydro-3,5-dimethyl-2H-pyran-2-one
CID 14015767
(3s,5r,6s)-3,5-Dimethyl-6-(methylethyl)-3,4,5,6-tetrahydropyran-2-one
CID 10012333
5-Methyl-6-(propan-2-yl)oxan-2-one
CID 13876854
4-(tert-Butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2H-pyran-2-one
CID 130361
(5S,6S)-5-Methyl-6-propan-2-yloxan-2-one
CID 13876855
(3R,5S,6R)-6-ethyl-3,5-dimethyloxan-2-one
CID 11205903
Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
3,5-Dimethyl-6-(methylethyl)-3,4,5,6-tetrahydropyran-2-one
CID 73810187
(1R,3S,4S)-ethyl 4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexanecarboxylate
CID 123410153
Methyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 22167752
(3r,5s,6r)-3,5-Dimethyl-6-(methylethyl)-3,4,5,6-tetrahydropyran-2-one
CID 10080808
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one?
The IUPAC name of (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one (CID 10849827) is (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one.
What is the SMILES notation for (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one?
The canonical SMILES for (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one is C[C@H]1CCC(=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one?
The InChIKey is LIZGSPDBZZRNEU-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11-7-8-13(15)17-12(11)9-10-16-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one?
(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one has a molecular weight of 272.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one is sourced from PubChem (CID 10849827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).