[(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane

C19H28O4SSi — CID 11280457

IUPAC[(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H]2O[C@@H]2CC1
InChIInChI=1S/C19H28O4SSi/c1-19(2,3)25(4,5)23-14-11-12-16-18(22-16)17(13-14)24(20,21)15-9-7-6-8-10-15/h6-10,13-14,16,18H,11-12H2,1-5H3/t14-,16+,18+/m0/s1
InChIKeyZDHJHJDJQFNHLX-YXJHDRRASA-N
MW380.58 g/mol
LogP4.30
Rot. Bonds4

About [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane

[(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11280457) has the molecular formula C19H28O4SSi and a molecular weight of 380.58 g/mol. Its IUPAC name is [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11280457
Molecular FormulaC19H28O4SSi
Molecular Weight380.58 g/mol
Exact Mass380.15
IUPAC Name[(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H]2O[C@@H]2CC1
InChIInChI=1S/C19H28O4SSi/c1-19(2,3)25(4,5)23-14-11-12-16-18(22-16)17(13-14)24(20,21)15-9-7-6-8-10-15/h6-10,13-14,16,18H,11-12H2,1-5H3/t14-,16+,18+/m0/s1
InChIKeyZDHJHJDJQFNHLX-YXJHDRRASA-N
XLogP4.30
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane (CID 11280457) is [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H]2O[C@@H]2CC1.
What is the InChIKey of [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ZDHJHJDJQFNHLX-YXJHDRRASA-N. The full InChI is InChI=1S/C19H28O4SSi/c1-19(2,3)25(4,5)23-14-11-12-16-18(22-16)17(13-14)24(20,21)15-9-7-6-8-10-15/h6-10,13-14,16,18H,11-12H2,1-5H3/t14-,16+,18+/m0/s1.
What are the key properties of [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane?
[(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 380.58 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11280457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).