[(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane

C21H35BrO3SSi — CID 15395788

IUPAC[(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC(/C=C/S(=O)(=O)c1ccccc1)CCCBr)(C(C)C)C(C)C
InChIInChI=1S/C21H35BrO3SSi/c1-17(2)27(18(3)4,19(5)6)25-20(11-10-15-22)14-16-26(23,24)21-12-8-7-9-13-21/h7-9,12-14,16-20H,10-11,15H2,1-6H3/b16-14+
InChIKeyLXMCXHIZDFLOHZ-JQIJEIRASA-N
MW475.57 g/mol
LogP6.71
Rot. Bonds11

About [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane

[(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 15395788) has the molecular formula C21H35BrO3SSi and a molecular weight of 475.57 g/mol. Its IUPAC name is [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID15395788
Molecular FormulaC21H35BrO3SSi
Molecular Weight475.57 g/mol
Exact Mass474.13
IUPAC Name[(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC(/C=C/S(=O)(=O)c1ccccc1)CCCBr)(C(C)C)C(C)C
InChIInChI=1S/C21H35BrO3SSi/c1-17(2)27(18(3)4,19(5)6)25-20(11-10-15-22)14-16-26(23,24)21-12-8-7-9-13-21/h7-9,12-14,16-20H,10-11,15H2,1-6H3/b16-14+
InChIKeyLXMCXHIZDFLOHZ-JQIJEIRASA-N
XLogP6.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane (CID 15395788) is [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC(/C=C/S(=O)(=O)c1ccccc1)CCCBr)(C(C)C)C(C)C.
What is the InChIKey of [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is LXMCXHIZDFLOHZ-JQIJEIRASA-N. The full InChI is InChI=1S/C21H35BrO3SSi/c1-17(2)27(18(3)4,19(5)6)25-20(11-10-15-22)14-16-26(23,24)21-12-8-7-9-13-21/h7-9,12-14,16-20H,10-11,15H2,1-6H3/b16-14+.
What are the key properties of [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane?
[(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 475.57 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(benzenesulfonyl)-6-bromohex-1-en-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 15395788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).