(Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol

C15H24O2SSi — CID 138978050

IUPAC(Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O/C(=C\Sc1ccccc1)CO
InChIInChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-10,12,16H,11H2,1-5H3/b13-12-
InChIKeyFDGUYZPKBDKSMY-SEYXRHQNSA-N
MW296.51 g/mol
LogP4.63
Rot. Bonds5

About (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol

(Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol (PubChem CID 138978050) has the molecular formula C15H24O2SSi and a molecular weight of 296.51 g/mol. Its IUPAC name is (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol
PubChem CID138978050
Molecular FormulaC15H24O2SSi
Molecular Weight296.51 g/mol
Exact Mass296.13
IUPAC Name(Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O/C(=C\Sc1ccccc1)CO
InChIInChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-10,12,16H,11H2,1-5H3/b13-12-
InChIKeyFDGUYZPKBDKSMY-SEYXRHQNSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol (CID 138978050) is (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol is CC(C)(C)[Si](C)(C)O/C(=C\Sc1ccccc1)CO.
What is the InChIKey of (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol?
The InChIKey is FDGUYZPKBDKSMY-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H24O2SSi/c1-15(2,3)19(4,5)17-13(11-16)12-18-14-9-7-6-8-10-14/h6-10,12,16H,11H2,1-5H3/b13-12-.
What are the key properties of (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol?
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol has a molecular weight of 296.51 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 138978050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).