[(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane

C28H56O4Si2 — CID 134935778

IUPAC[(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@H]2CC(OC)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-13-14-15-16-21(31-33(9,10)27(2,3)4)17-18-22-23-19-26(29-8)30-24(23)20-25(22)32-34(11,12)28(5,6)7/h17-18,21-26H,13-16,19-20H2,1-12H3/b18-17+/t21-,22+,23+,24-,25+,26?/m0/s1
InChIKeyIDIJSWCAJQGLNZ-SVMXPBSWSA-N
MW512.92 g/mol
LogP8.30
Rot. Bonds11

About [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane

[(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134935778) has the molecular formula C28H56O4Si2 and a molecular weight of 512.92 g/mol. Its IUPAC name is [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134935778
Molecular FormulaC28H56O4Si2
Molecular Weight512.92 g/mol
Exact Mass512.37
IUPAC Name[(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@H]2CC(OC)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-13-14-15-16-21(31-33(9,10)27(2,3)4)17-18-22-23-19-26(29-8)30-24(23)20-25(22)32-34(11,12)28(5,6)7/h17-18,21-26H,13-16,19-20H2,1-12H3/b18-17+/t21-,22+,23+,24-,25+,26?/m0/s1
InChIKeyIDIJSWCAJQGLNZ-SVMXPBSWSA-N
XLogP8.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-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,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane (CID 134935778) is [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane is CCCCC[C@@H](/C=C/[C@@H]1[C@H]2CC(OC)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IDIJSWCAJQGLNZ-SVMXPBSWSA-N. The full InChI is InChI=1S/C28H56O4Si2/c1-13-14-15-16-21(31-33(9,10)27(2,3)4)17-18-22-23-19-26(29-8)30-24(23)20-25(22)32-34(11,12)28(5,6)7/h17-18,21-26H,13-16,19-20H2,1-12H3/b18-17+/t21-,22+,23+,24-,25+,26?/m0/s1.
What are the key properties of [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane?
[(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 512.92 g/mol, XLogP of 8.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134935778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).