ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate

C17H34O4Si — CID 11631306

IUPACethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
SMILESCCOC(=O)C(C)(C)C(O[Si](CC)(CC)CC)/C(C)=C\CO
InChIInChI=1S/C17H34O4Si/c1-8-20-16(19)17(6,7)15(14(5)12-13-18)21-22(9-2,10-3)11-4/h12,15,18H,8-11,13H2,1-7H3/b14-12-
InChIKeySMYKMQAFZHLEKP-OWBHPGMISA-N
MW330.54 g/mol
LogP3.90
Rot. Bonds10

About ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate

ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate (PubChem CID 11631306) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
PubChem CID11631306
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nameethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
SMILESCCOC(=O)C(C)(C)C(O[Si](CC)(CC)CC)/C(C)=C\CO
InChIInChI=1S/C17H34O4Si/c1-8-20-16(19)17(6,7)15(14(5)12-13-18)21-22(9-2,10-3)11-4/h12,15,18H,8-11,13H2,1-7H3/b14-12-
InChIKeySMYKMQAFZHLEKP-OWBHPGMISA-N
XLogP3.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate?
The IUPAC name of ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate (CID 11631306) is ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate.
What is the SMILES notation for ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate?
The canonical SMILES for ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate is CCOC(=O)C(C)(C)C(O[Si](CC)(CC)CC)/C(C)=C\CO.
What is the InChIKey of ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate?
The InChIKey is SMYKMQAFZHLEKP-OWBHPGMISA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-20-16(19)17(6,7)15(14(5)12-13-18)21-22(9-2,10-3)11-4/h12,15,18H,8-11,13H2,1-7H3/b14-12-.
What are the key properties of ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate?
ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate has a molecular weight of 330.54 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate is sourced from PubChem (CID 11631306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).