[(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane

C20H34O2SSi — CID 10044452

IUPAC[(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)S(=O)c1ccccc1
InChIInChI=1S/C20H34O2SSi/c1-16(15-22-24(7,8)20(4,5)6)14-17(2)18(3)23(21)19-12-10-9-11-13-19/h9-14,16,18H,15H2,1-8H3/b17-14+/t16-,18+,23?/m1/s1
InChIKeyDQJTXMQFEVHRRV-CJUXKXOKSA-N
MW366.64 g/mol
LogP5.79
Rot. Bonds7

About [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane

[(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 10044452) has the molecular formula C20H34O2SSi and a molecular weight of 366.64 g/mol. Its IUPAC name is [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane
PubChem CID10044452
Molecular FormulaC20H34O2SSi
Molecular Weight366.64 g/mol
Exact Mass366.20
IUPAC Name[(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)S(=O)c1ccccc1
InChIInChI=1S/C20H34O2SSi/c1-16(15-22-24(7,8)20(4,5)6)14-17(2)18(3)23(21)19-12-10-9-11-13-19/h9-14,16,18H,15H2,1-8H3/b17-14+/t16-,18+,23?/m1/s1
InChIKeyDQJTXMQFEVHRRV-CJUXKXOKSA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.64
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(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
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
Trimethoxy(3-phenylsulfanylpropyl)silane
CID 21413534
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
Triethoxy(3-phenylsulfanylpropyl)silane
CID 151300368

Frequently Asked Questions

What is the IUPAC name of [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane (CID 10044452) is [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane is C/C(=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)S(=O)c1ccccc1.
What is the InChIKey of [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is DQJTXMQFEVHRRV-CJUXKXOKSA-N. The full InChI is InChI=1S/C20H34O2SSi/c1-16(15-22-24(7,8)20(4,5)6)14-17(2)18(3)23(21)19-12-10-9-11-13-19/h9-14,16,18H,15H2,1-8H3/b17-14+/t16-,18+,23?/m1/s1.
What are the key properties of [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane?
[(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 366.64 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10044452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).