[(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate

C18H28O4Si — CID 46850140

IUPAC[(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate
SMILESCC(=O)O/C=C\CC(O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H28O4Si/c1-14(19)21-13-7-8-17(20)15-9-11-16(12-10-15)22-23(5,6)18(2,3)4/h7,9-13,17,20H,8H2,1-6H3/b13-7-
InChIKeyVEGXWDZZZREVPA-QPEQYQDCSA-N
MW336.50 g/mol
LogP4.57
Rot. Bonds6

About [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate

[(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate (PubChem CID 46850140) has the molecular formula C18H28O4Si and a molecular weight of 336.50 g/mol. Its IUPAC name is [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate.

Molecular Properties

Compound Name[(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate
PubChem CID46850140
Molecular FormulaC18H28O4Si
Molecular Weight336.50 g/mol
Exact Mass336.18
IUPAC Name[(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate
SMILESCC(=O)O/C=C\CC(O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H28O4Si/c1-14(19)21-13-7-8-17(20)15-9-11-16(12-10-15)22-23(5,6)18(2,3)4/h7,9-13,17,20H,8H2,1-6H3/b13-7-
InChIKeyVEGXWDZZZREVPA-QPEQYQDCSA-N
XLogP4.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate?
The IUPAC name of [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate (CID 46850140) is [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate.
What is the SMILES notation for [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate?
The canonical SMILES for [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate is CC(=O)O/C=C\CC(O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate?
The InChIKey is VEGXWDZZZREVPA-QPEQYQDCSA-N. The full InChI is InChI=1S/C18H28O4Si/c1-14(19)21-13-7-8-17(20)15-9-11-16(12-10-15)22-23(5,6)18(2,3)4/h7,9-13,17,20H,8H2,1-6H3/b13-7-.
What are the key properties of [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate?
[(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate has a molecular weight of 336.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate is sourced from PubChem (CID 46850140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).