methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate

C15H22O3SSi — CID 135049550

IUPACmethyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate
SMILESCOC(=O)OC/C(=C/Sc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C15H22O3SSi/c1-17-15(16)18-10-13(12-20(2,3)4)11-19-14-8-6-5-7-9-14/h5-9,11H,10,12H2,1-4H3/b13-11-
InChIKeyUEWDXRUQBMYUQL-QBFSEMIESA-N
MW310.49 g/mol
LogP4.78
Rot. Bonds6

About methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate

methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate (PubChem CID 135049550) has the molecular formula C15H22O3SSi and a molecular weight of 310.49 g/mol. Its IUPAC name is methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate
PubChem CID135049550
Molecular FormulaC15H22O3SSi
Molecular Weight310.49 g/mol
Exact Mass310.11
IUPAC Namemethyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate
SMILESCOC(=O)OC/C(=C/Sc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C15H22O3SSi/c1-17-15(16)18-10-13(12-20(2,3)4)11-19-14-8-6-5-7-9-14/h5-9,11H,10,12H2,1-4H3/b13-11-
InChIKeyUEWDXRUQBMYUQL-QBFSEMIESA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate?
The IUPAC name of methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate (CID 135049550) is methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate.
What is the SMILES notation for methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate?
The canonical SMILES for methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate is COC(=O)OC/C(=C/Sc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate?
The InChIKey is UEWDXRUQBMYUQL-QBFSEMIESA-N. The full InChI is InChI=1S/C15H22O3SSi/c1-17-15(16)18-10-13(12-20(2,3)4)11-19-14-8-6-5-7-9-14/h5-9,11H,10,12H2,1-4H3/b13-11-.
What are the key properties of methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate?
methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate has a molecular weight of 310.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(Z)-3-phenylsulfanyl-2-(trimethylsilylmethyl)prop-2-enyl] carbonate is sourced from PubChem (CID 135049550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).