tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane

C16H26OSSi — CID 10990080

IUPACtert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
SMILESC[C@H](/C=C\Sc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26OSSi/c1-14(17-19(5,6)16(2,3)4)12-13-18-15-10-8-7-9-11-15/h7-14H,1-6H3/b13-12-/t14-/m1/s1
InChIKeyDRISQLQHUQOTNZ-WUFNSSIPSA-N
MW294.54 g/mol
LogP5.70
Rot. Bonds5

About tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane (PubChem CID 10990080) has the molecular formula C16H26OSSi and a molecular weight of 294.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
PubChem CID10990080
Molecular FormulaC16H26OSSi
Molecular Weight294.54 g/mol
Exact Mass294.15
IUPAC Nametert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
SMILESC[C@H](/C=C\Sc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26OSSi/c1-14(17-19(5,6)16(2,3)4)12-13-18-15-10-8-7-9-11-15/h7-14H,1-6H3/b13-12-/t14-/m1/s1
InChIKeyDRISQLQHUQOTNZ-WUFNSSIPSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane (CID 10990080) is tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane is C[C@H](/C=C\Sc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane?
The InChIKey is DRISQLQHUQOTNZ-WUFNSSIPSA-N. The full InChI is InChI=1S/C16H26OSSi/c1-14(17-19(5,6)16(2,3)4)12-13-18-15-10-8-7-9-11-15/h7-14H,1-6H3/b13-12-/t14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane has a molecular weight of 294.54 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane is sourced from PubChem (CID 10990080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).