2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol

C17H28O2Si — CID 10493896

IUPAC2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(/C=C\CO[Si](C)(C)C(C)(C)C)c(O)c1
InChIInChI=1S/C17H28O2Si/c1-13-11-14(2)15(16(18)12-13)9-8-10-19-20(6,7)17(3,4)5/h8-9,11-12,18H,10H2,1-7H3/b9-8-
InChIKeyTVGDYSPVIFXYNB-HJWRWDBZSA-N
MW292.50 g/mol
LogP5.04
Rot. Bonds4

About 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol

2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol (PubChem CID 10493896) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol
PubChem CID10493896
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(/C=C\CO[Si](C)(C)C(C)(C)C)c(O)c1
InChIInChI=1S/C17H28O2Si/c1-13-11-14(2)15(16(18)12-13)9-8-10-19-20(6,7)17(3,4)5/h8-9,11-12,18H,10H2,1-7H3/b9-8-
InChIKeyTVGDYSPVIFXYNB-HJWRWDBZSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
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 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol?
The IUPAC name of 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol (CID 10493896) is 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol?
The canonical SMILES for 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol is Cc1cc(C)c(/C=C\CO[Si](C)(C)C(C)(C)C)c(O)c1.
What is the InChIKey of 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol?
The InChIKey is TVGDYSPVIFXYNB-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-13-11-14(2)15(16(18)12-13)9-8-10-19-20(6,7)17(3,4)5/h8-9,11-12,18H,10H2,1-7H3/b9-8-.
What are the key properties of 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol?
2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol has a molecular weight of 292.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3,5-dimethylphenol is sourced from PubChem (CID 10493896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).