3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C20H35NO5Si — CID 177499738

IUPAC3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCCC[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@@H](OC)[C@@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C20H35NO5Si/c1-8-9-14-12-15(26-27(6,7)20(2,3)4)13-16(24-5)17(14)18(22)21-10-11-25-19(21)23/h13-14,16-17H,8-12H2,1-7H3/t14-,16+,17+/m0/s1
InChIKeyGTJDBRYOWMAYDB-USXIJHARSA-N
MW397.59 g/mol
LogP4.32
Rot. Bonds6

About 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 177499738) has the molecular formula C20H35NO5Si and a molecular weight of 397.59 g/mol. Its IUPAC name is 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID177499738
Molecular FormulaC20H35NO5Si
Molecular Weight397.59 g/mol
Exact Mass397.23
IUPAC Name3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCCC[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@@H](OC)[C@@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C20H35NO5Si/c1-8-9-14-12-15(26-27(6,7)20(2,3)4)13-16(24-5)17(14)18(22)21-10-11-25-19(21)23/h13-14,16-17H,8-12H2,1-7H3/t14-,16+,17+/m0/s1
InChIKeyGTJDBRYOWMAYDB-USXIJHARSA-N
XLogP4.32
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-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

dimethyl (1S,2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)cyclohex-4-ene-1,2-dicarboxylate
CID 10737995
3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 10755013
methyl (1S,2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-6-methylcyclohex-3-ene-1-carboxylate
CID 10544219
cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
CID 134922721
tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
CID 122389927
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
CID 10380829
methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 12032170
3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 102037754
methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
CID 134963855
3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
CID 42604601
3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 101040640
3-[(1S,2S)-4-[bis[tert-butyl(dimethyl)silyl]methyl]-2-(phenylmethoxymethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 132500460

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 177499738) is 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is CCC[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@@H](OC)[C@@H]1C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is GTJDBRYOWMAYDB-USXIJHARSA-N. The full InChI is InChI=1S/C20H35NO5Si/c1-8-9-14-12-15(26-27(6,7)20(2,3)4)13-16(24-5)17(14)18(22)21-10-11-25-19(21)23/h13-14,16-17H,8-12H2,1-7H3/t14-,16+,17+/m0/s1.
What are the key properties of 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 397.59 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 177499738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).