[(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate

C18H34O3Si — CID 11163199

IUPAC[(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O/C=C\CC(O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C18H34O3Si/c1-18(2,3)17(19)20-14-10-13-16(21-22(4,5)6)15-11-8-7-9-12-15/h10,14-16H,7-9,11-13H2,1-6H3/b14-10-
InChIKeyKFPCLXUYXBBWCI-UVTDQMKNSA-N
MW326.55 g/mol
LogP5.28
Rot. Bonds6

About [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate

[(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate (PubChem CID 11163199) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate
PubChem CID11163199
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O/C=C\CC(O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C18H34O3Si/c1-18(2,3)17(19)20-14-10-13-16(21-22(4,5)6)15-11-8-7-9-12-15/h10,14-16H,7-9,11-13H2,1-6H3/b14-10-
InChIKeyKFPCLXUYXBBWCI-UVTDQMKNSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.28
H-Bond Donors ≤ 50
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)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate (CID 11163199) is [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O/C=C\CC(O[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate?
The InChIKey is KFPCLXUYXBBWCI-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-18(2,3)17(19)20-14-10-13-16(21-22(4,5)6)15-11-8-7-9-12-15/h10,14-16H,7-9,11-13H2,1-6H3/b14-10-.
What are the key properties of [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate?
[(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate has a molecular weight of 326.55 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-cyclohexyl-4-trimethylsilyloxybut-1-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11163199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).