[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate

C17H34O3Si — CID 10425811

IUPAC[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate
SMILESCC[Si](/C=C/[C@@H](O)CCCOC(=O)C(C)(C)C)(CC)CC
InChIInChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)14-12-15(18)11-10-13-20-16(19)17(4,5)6/h12,14-15,18H,7-11,13H2,1-6H3/b14-12+/t15-/m0/s1
InChIKeyWQPOXWOHLKZYIH-ZQHYZAEZSA-N
MW314.54 g/mol
LogP4.32
Rot. Bonds9

About [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate

[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 10425811) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate
PubChem CID10425811
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate
SMILESCC[Si](/C=C/[C@@H](O)CCCOC(=O)C(C)(C)C)(CC)CC
InChIInChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)14-12-15(18)11-10-13-20-16(19)17(4,5)6/h12,14-15,18H,7-11,13H2,1-6H3/b14-12+/t15-/m0/s1
InChIKeyWQPOXWOHLKZYIH-ZQHYZAEZSA-N
XLogP4.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate (CID 10425811) is [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate is CC[Si](/C=C/[C@@H](O)CCCOC(=O)C(C)(C)C)(CC)CC.
What is the InChIKey of [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is WQPOXWOHLKZYIH-ZQHYZAEZSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)14-12-15(18)11-10-13-20-16(19)17(4,5)6/h12,14-15,18H,7-11,13H2,1-6H3/b14-12+/t15-/m0/s1.
What are the key properties of [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate?
[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 314.54 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10425811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).