[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane

C18H30O3SSi — CID 11164088

IUPAC[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H30O3SSi/c1-18(2,3)23(4,5)21-15-11-6-7-12-16-22(19,20)17-13-9-8-10-14-17/h8-10,12-14,16H,6-7,11,15H2,1-5H3/b16-12+
InChIKeyHNMQSSVLSFYWCI-FOWTUZBSSA-N
MW354.59 g/mol
LogP5.17
Rot. Bonds8

About [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane

[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11164088) has the molecular formula C18H30O3SSi and a molecular weight of 354.59 g/mol. Its IUPAC name is [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
PubChem CID11164088
Molecular FormulaC18H30O3SSi
Molecular Weight354.59 g/mol
Exact Mass354.17
IUPAC Name[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H30O3SSi/c1-18(2,3)23(4,5)21-15-11-6-7-12-16-22(19,20)17-13-9-8-10-14-17/h8-10,12-14,16H,6-7,11,15H2,1-5H3/b16-12+
InChIKeyHNMQSSVLSFYWCI-FOWTUZBSSA-N
XLogP5.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.59
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
AG-G-90643
CID 2724975
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
tert-Butyl o-trimethylsilylphenyl sulfone
CID 546648
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
4-(Phenylthio)-butyl monomethane sulfonate
CID 13550708
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
[2-(Benzenesulfonyl)ethenyl](trimethyl)silane
CID 14384747

Frequently Asked Questions

What is the IUPAC name of [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane (CID 11164088) is [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is HNMQSSVLSFYWCI-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H30O3SSi/c1-18(2,3)23(4,5)21-15-11-6-7-12-16-22(19,20)17-13-9-8-10-14-17/h8-10,12-14,16H,6-7,11,15H2,1-5H3/b16-12+.
What are the key properties of [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane?
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 354.59 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11164088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).