(E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol

C20H34O5Si — CID 11394955

IUPAC(E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]2C12OCCCO2
InChIInChI=1S/C20H34O5Si/c1-18(2,3)26(6,7)25-15-13-14(9-10-19(4,5)21)20(17-16(15)24-17)22-11-8-12-23-20/h9-10,13,15-17,21H,8,11-12H2,1-7H3/b10-9+/t15-,16+,17+/m1/s1
InChIKeyUOXWISMERMYGTD-NQQDEJRESA-N
MW382.57 g/mol
LogP3.54
Rot. Bonds4

About (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol

(E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol (PubChem CID 11394955) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol
PubChem CID11394955
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Name(E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]2C12OCCCO2
InChIInChI=1S/C20H34O5Si/c1-18(2,3)26(6,7)25-15-13-14(9-10-19(4,5)21)20(17-16(15)24-17)22-11-8-12-23-20/h9-10,13,15-17,21H,8,11-12H2,1-7H3/b10-9+/t15-,16+,17+/m1/s1
InChIKeyUOXWISMERMYGTD-NQQDEJRESA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol 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 (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol (CID 11394955) is (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol is CC(C)(O)/C=C/C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]2C12OCCCO2.
What is the InChIKey of (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol?
The InChIKey is UOXWISMERMYGTD-NQQDEJRESA-N. The full InChI is InChI=1S/C20H34O5Si/c1-18(2,3)26(6,7)25-15-13-14(9-10-19(4,5)21)20(17-16(15)24-17)22-11-8-12-23-20/h9-10,13,15-17,21H,8,11-12H2,1-7H3/b10-9+/t15-,16+,17+/m1/s1.
What are the key properties of (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol?
(E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol has a molecular weight of 382.57 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(1'S,5'R,6'R)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxane-2,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3'-yl]-2-methylbut-3-en-2-ol is sourced from PubChem (CID 11394955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).