[(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane

C19H38O4Si2 — CID 11784012

IUPAC[(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCCO[C@@H]1C[C@@H]2C[Si](C)(C)O[C@@H]2[C@@H](/C=C/CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O4Si2/c1-9-20-17-13-15-14-24(5,6)23-18(15)16(22-17)11-10-12-21-25(7,8)19(2,3)4/h10-11,15-18H,9,12-14H2,1-8H3/b11-10+/t15-,16-,17+,18+/m1/s1
InChIKeyTUJRGVKPYRKIHF-HIYOHROESA-N
MW386.68 g/mol
LogP4.94
Rot. Bonds6

About [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane

[(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11784012) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID11784012
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Name[(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCCO[C@@H]1C[C@@H]2C[Si](C)(C)O[C@@H]2[C@@H](/C=C/CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O4Si2/c1-9-20-17-13-15-14-24(5,6)23-18(15)16(22-17)11-10-12-21-25(7,8)19(2,3)4/h10-11,15-18H,9,12-14H2,1-8H3/b11-10+/t15-,16-,17+,18+/m1/s1
InChIKeyTUJRGVKPYRKIHF-HIYOHROESA-N
XLogP4.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-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 [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane (CID 11784012) is [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane is CCO[C@@H]1C[C@@H]2C[Si](C)(C)O[C@@H]2[C@@H](/C=C/CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is TUJRGVKPYRKIHF-HIYOHROESA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-9-20-17-13-15-14-24(5,6)23-18(15)16(22-17)11-10-12-21-25(7,8)19(2,3)4/h10-11,15-18H,9,12-14H2,1-8H3/b11-10+/t15-,16-,17+,18+/m1/s1.
What are the key properties of [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane?
[(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 386.68 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]prop-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11784012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).