[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane

C16H26OSSi — CID 10946332

IUPAC[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane
SMILESC/C(=C\C(C)CO[Si](C)(C)C)CSc1ccccc1
InChIInChI=1S/C16H26OSSi/c1-14(12-17-19(3,4)5)11-15(2)13-18-16-9-7-6-8-10-16/h6-11,14H,12-13H2,1-5H3/b15-11+
InChIKeyFOUKKAOIJBGUAI-RVDMUPIBSA-N
MW294.54 g/mol
LogP5.21
Rot. Bonds7

About [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane

[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane (PubChem CID 10946332) has the molecular formula C16H26OSSi and a molecular weight of 294.54 g/mol. Its IUPAC name is [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane
PubChem CID10946332
Molecular FormulaC16H26OSSi
Molecular Weight294.54 g/mol
Exact Mass294.15
IUPAC Name[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane
SMILESC/C(=C\C(C)CO[Si](C)(C)C)CSc1ccccc1
InChIInChI=1S/C16H26OSSi/c1-14(12-17-19(3,4)5)11-15(2)13-18-16-9-7-6-8-10-16/h6-11,14H,12-13H2,1-5H3/b15-11+
InChIKeyFOUKKAOIJBGUAI-RVDMUPIBSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.54
LogP ≤ 55.21
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
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Trimethyl-(2-methyl-1-phenylsulfanylpropyl)silane
CID 12362694
Trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane
CID 12572043
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
Silane, trimethyl[[1-(phenylthio)ethenyl]oxy]-
CID 11447442
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
Silane, [methoxy(phenylthio)methyl]trimethyl-
CID 11790918
Trimethoxy[(phenylsulfanyl)methyl]silane
CID 12484759
Trimethylsilyloxymethyl phenyl sulfide
CID 12572068
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527

Frequently Asked Questions

What is the IUPAC name of [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane?
The IUPAC name of [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane (CID 10946332) is [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane is C/C(=C\C(C)CO[Si](C)(C)C)CSc1ccccc1.
What is the InChIKey of [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane?
The InChIKey is FOUKKAOIJBGUAI-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H26OSSi/c1-14(12-17-19(3,4)5)11-15(2)13-18-16-9-7-6-8-10-16/h6-11,14H,12-13H2,1-5H3/b15-11+.
What are the key properties of [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane?
[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane has a molecular weight of 294.54 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane is sourced from PubChem (CID 10946332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).