[(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate

C25H48O5Si — CID 10389373

IUPAC[(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate
SMILESCCOC(C)O[C@@H]1/C(=C\COC(=O)C(C)(C)C)CCC[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H48O5Si/c1-12-27-19(2)30-21-20(15-17-28-22(26)23(3,4)5)14-13-16-25(21,9)18-29-31(10,11)24(6,7)8/h15,19,21H,12-14,16-18H2,1-11H3/b20-15-/t19?,21-,25-/m1/s1
InChIKeyLUBPTXKDUJBUPO-SPUHLVPASA-N
MW456.74 g/mol
LogP6.48
Rot. Bonds9

About [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate

[(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate (PubChem CID 10389373) has the molecular formula C25H48O5Si and a molecular weight of 456.74 g/mol. Its IUPAC name is [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate
PubChem CID10389373
Molecular FormulaC25H48O5Si
Molecular Weight456.74 g/mol
Exact Mass456.33
IUPAC Name[(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate
SMILESCCOC(C)O[C@@H]1/C(=C\COC(=O)C(C)(C)C)CCC[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H48O5Si/c1-12-27-19(2)30-21-20(15-17-28-22(26)23(3,4)5)14-13-16-25(21,9)18-29-31(10,11)24(6,7)8/h15,19,21H,12-14,16-18H2,1-11H3/b20-15-/t19?,21-,25-/m1/s1
InChIKeyLUBPTXKDUJBUPO-SPUHLVPASA-N
XLogP6.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.74
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate (CID 10389373) is [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate is CCOC(C)O[C@@H]1/C(=C\COC(=O)C(C)(C)C)CCC[C@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate?
The InChIKey is LUBPTXKDUJBUPO-SPUHLVPASA-N. The full InChI is InChI=1S/C25H48O5Si/c1-12-27-19(2)30-21-20(15-17-28-22(26)23(3,4)5)14-13-16-25(21,9)18-29-31(10,11)24(6,7)8/h15,19,21H,12-14,16-18H2,1-11H3/b20-15-/t19?,21-,25-/m1/s1.
What are the key properties of [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate?
[(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate has a molecular weight of 456.74 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10389373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).