[(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane

C32H44O3Si — CID 71606337

IUPAC[(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane
SMILESC=CC[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCC(C)(C)CO3
InChIInChI=1S/C32H44O3Si/c1-7-14-27-28-21-32(33-22-31(5,6)23-34-32)20-24(28)19-29(27)35-36(30(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h7-13,15-18,24,27-29H,1,14,19-23H2,2-6H3/t24-,27-,28+,29-/m1/s1
InChIKeyRQICABSUAPAILK-DAUHHZGYSA-N
MW504.79 g/mol
LogP6.32
Rot. Bonds6

About [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane

[(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 71606337) has the molecular formula C32H44O3Si and a molecular weight of 504.79 g/mol. Its IUPAC name is [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane
PubChem CID71606337
Molecular FormulaC32H44O3Si
Molecular Weight504.79 g/mol
Exact Mass504.31
IUPAC Name[(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane
SMILESC=CC[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCC(C)(C)CO3
InChIInChI=1S/C32H44O3Si/c1-7-14-27-28-21-32(33-22-31(5,6)23-34-32)20-24(28)19-29(27)35-36(30(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h7-13,15-18,24,27-29H,1,14,19-23H2,2-6H3/t24-,27-,28+,29-/m1/s1
InChIKeyRQICABSUAPAILK-DAUHHZGYSA-N
XLogP6.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.79
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane 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 [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane (CID 71606337) is [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane is C=CC[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCC(C)(C)CO3.
What is the InChIKey of [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is RQICABSUAPAILK-DAUHHZGYSA-N. The full InChI is InChI=1S/C32H44O3Si/c1-7-14-27-28-21-32(33-22-31(5,6)23-34-32)20-24(28)19-29(27)35-36(30(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h7-13,15-18,24,27-29H,1,14,19-23H2,2-6H3/t24-,27-,28+,29-/m1/s1.
What are the key properties of [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane?
[(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 504.79 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'R,2'R,3'aR,6'aS)-5,5-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 71606337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).