[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate

C22H44O3Si — CID 10883525

IUPAC[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
SMILESCC(=O)OC/C(=C/CCCCCCCCCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-21(24)25-19-22(20-26(2,3)4)17-15-13-11-9-7-5-6-8-10-12-14-16-18-23/h17,23H,5-16,18-20H2,1-4H3/b22-17-
InChIKeyMXXNGPLUZPHSIF-XLNRJJMWSA-N
MW384.68 g/mol
LogP6.49
Rot. Bonds17

About [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate

[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate (PubChem CID 10883525) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
PubChem CID10883525
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
SMILESCC(=O)OC/C(=C/CCCCCCCCCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-21(24)25-19-22(20-26(2,3)4)17-15-13-11-9-7-5-6-8-10-12-14-16-18-23/h17,23H,5-16,18-20H2,1-4H3/b22-17-
InChIKeyMXXNGPLUZPHSIF-XLNRJJMWSA-N
XLogP6.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.49
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-7-acetyloxy-13-hydroxy-4-methyltridec-4-en-3-yl] acetate
CID 13899425
ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate
CID 10340015
ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate
CID 10356686
ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate
CID 10471737
ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate
CID 11807839
(Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid
CID 177420728
[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate
CID 177435753
(Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid
CID 177438122
[(Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enyl] 2,2-dimethylpropanoate
CID 177549037
ethyl (Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enoate
CID 177562154
[[Tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate
CID 14309684
[[Tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate
CID 54443091

Frequently Asked Questions

What is the IUPAC name of [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate?
The IUPAC name of [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate (CID 10883525) is [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate.
What is the SMILES notation for [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate?
The canonical SMILES for [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate is CC(=O)OC/C(=C/CCCCCCCCCCCCCO)C[Si](C)(C)C.
What is the InChIKey of [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate?
The InChIKey is MXXNGPLUZPHSIF-XLNRJJMWSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-21(24)25-19-22(20-26(2,3)4)17-15-13-11-9-7-5-6-8-10-12-14-16-18-23/h17,23H,5-16,18-20H2,1-4H3/b22-17-.
What are the key properties of [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate?
[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate has a molecular weight of 384.68 g/mol, XLogP of 6.49, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate is sourced from PubChem (CID 10883525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).