methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate

C16H28O4Si — CID 54672210

IUPACmethyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=CC[C@H]1C(C)=O
InChIInChI=1S/C16H28O4Si/c1-11(17)13-9-8-12(10-14(13)15(18)19-5)20-21(6,7)16(2,3)4/h8,13-14H,9-10H2,1-7H3/t13-,14+/m0/s1
InChIKeyWYZMDHFNODQLEN-UONOGXRCSA-N
MW312.48 g/mol
LogP3.68
Rot. Bonds4

About methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate

methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate (PubChem CID 54672210) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
PubChem CID54672210
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namemethyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=CC[C@H]1C(C)=O
InChIInChI=1S/C16H28O4Si/c1-11(17)13-9-8-12(10-14(13)15(18)19-5)20-21(6,7)16(2,3)4/h8,13-14H,9-10H2,1-7H3/t13-,14+/m0/s1
InChIKeyWYZMDHFNODQLEN-UONOGXRCSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate 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 (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 12031285
dimethyl (1S,2R)-4-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate
CID 12563458
dimethyl (1S,2S)-4-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate
CID 102330138
2-O-tert-butyl 1-O-methyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134903380
ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate
CID 134953400
dimethyl (1S,2S)-4-triethylsilylcyclohex-4-ene-1,2-dicarboxylate
CID 134980047
diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134980433
diethyl (1S,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134980837
dimethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134991715
dimethyl (1S,2R,3R)-3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylate
CID 135038578
dimethyl (1R,2S,3S)-3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylate
CID 135073840
ethyl (1R,2S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-2-methylcyclohex-3-ene-1-carboxylate
CID 162414305

Frequently Asked Questions

What is the IUPAC name of methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate (CID 54672210) is methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=CC[C@H]1C(C)=O.
What is the InChIKey of methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate?
The InChIKey is WYZMDHFNODQLEN-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-11(17)13-9-8-12(10-14(13)15(18)19-5)20-21(6,7)16(2,3)4/h8,13-14H,9-10H2,1-7H3/t13-,14+/m0/s1.
What are the key properties of methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate?
methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate has a molecular weight of 312.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 54672210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).