tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane

C22H40O2Si — CID 11035894

IUPACtert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane
SMILESCO/C=C1\C[C@H]2C=C[C@]1(C)C[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C22H40O2Si/c1-16(2)20(15-24-25(8,9)21(3,4)5)19-13-22(6)11-10-17(19)12-18(22)14-23-7/h10-11,14,16-17,19-20H,12-13,15H2,1-9H3/b18-14+/t17-,19-,20-,22-/m1/s1
InChIKeyLEYMAAGWTLBHJW-XEZLMHAASA-N
MW364.65 g/mol
LogP6.41
Rot. Bonds6

About tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane

tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane (PubChem CID 11035894) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane
PubChem CID11035894
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Nametert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane
SMILESCO/C=C1\C[C@H]2C=C[C@]1(C)C[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C22H40O2Si/c1-16(2)20(15-24-25(8,9)21(3,4)5)19-13-22(6)11-10-17(19)12-18(22)14-23-7/h10-11,14,16-17,19-20H,12-13,15H2,1-9H3/b18-14+/t17-,19-,20-,22-/m1/s1
InChIKeyLEYMAAGWTLBHJW-XEZLMHAASA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane 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 tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane (CID 11035894) is tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane is CO/C=C1\C[C@H]2C=C[C@]1(C)C[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane?
The InChIKey is LEYMAAGWTLBHJW-XEZLMHAASA-N. The full InChI is InChI=1S/C22H40O2Si/c1-16(2)20(15-24-25(8,9)21(3,4)5)19-13-22(6)11-10-17(19)12-18(22)14-23-7/h10-11,14,16-17,19-20H,12-13,15H2,1-9H3/b18-14+/t17-,19-,20-,22-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane?
tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane has a molecular weight of 364.65 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane is sourced from PubChem (CID 11035894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).