(E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol

C15H24OSSi — CID 10062226

IUPAC(E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol
SMILESCC(C)(O)/C(=C\Sc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C15H24OSSi/c1-15(2,16)13(12-18(3,4)5)11-17-14-9-7-6-8-10-14/h6-11,16H,12H2,1-5H3/b13-11-
InChIKeyYJYGBEHDDBVIMD-QBFSEMIESA-N
MW280.51 g/mol
LogP4.77
Rot. Bonds5

About (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol

(E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol (PubChem CID 10062226) has the molecular formula C15H24OSSi and a molecular weight of 280.51 g/mol. Its IUPAC name is (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol
PubChem CID10062226
Molecular FormulaC15H24OSSi
Molecular Weight280.51 g/mol
Exact Mass280.13
IUPAC Name(E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol
SMILESCC(C)(O)/C(=C\Sc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C15H24OSSi/c1-15(2,16)13(12-18(3,4)5)11-17-14-9-7-6-8-10-14/h6-11,16H,12H2,1-5H3/b13-11-
InChIKeyYJYGBEHDDBVIMD-QBFSEMIESA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-2-methyl-3-phenylsulfanylbutan-2-ol
CID 13596561
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454
(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol
CID 10943381
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
2-Methyl-1-phenylsulfanylbut-3-en-2-ol
CID 12697567
tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
CID 10990080
(1E,3S)-3,7-dimethyl-1-phenylsulfanylocta-1,6-dien-3-ol
CID 11086581
3-Phenylsulfanyl-1-trimethylsilylbutan-1-ol
CID 11118630
(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11231510
(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol
CID 11266584
(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11359552
3-Methyl-6-phenylsulfanylhept-1-en-3-ol
CID 11506945

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol (CID 10062226) is (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol is CC(C)(O)/C(=C\Sc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol?
The InChIKey is YJYGBEHDDBVIMD-QBFSEMIESA-N. The full InChI is InChI=1S/C15H24OSSi/c1-15(2,16)13(12-18(3,4)5)11-17-14-9-7-6-8-10-14/h6-11,16H,12H2,1-5H3/b13-11-.
What are the key properties of (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol?
(E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol has a molecular weight of 280.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-phenylsulfanyl-3-(trimethylsilylmethyl)but-3-en-2-ol is sourced from PubChem (CID 10062226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).