[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate

C16H32O3Si — CID 177435753

IUPAC[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate
SMILESCC(=O)OC/C(=C/CCCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C16H32O3Si/c1-15(18)19-13-16(14-20(2,3)4)11-9-7-5-6-8-10-12-17/h11,17H,5-10,12-14H2,1-4H3/b16-11-
InChIKeyQXWCGRWAMKZFKH-WJDWOHSUSA-N
MW300.52 g/mol
LogP4.15
Rot. Bonds11

About [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate

[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate (PubChem CID 177435753) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate
PubChem CID177435753
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate
SMILESCC(=O)OC/C(=C/CCCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C16H32O3Si/c1-15(18)19-13-16(14-20(2,3)4)11-9-7-5-6-8-10-12-17/h11,17H,5-10,12-14H2,1-4H3/b16-11-
InChIKeyQXWCGRWAMKZFKH-WJDWOHSUSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.15
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
[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 10883525
ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate
CID 11807839
(Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid
CID 177420728
(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)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate?
The IUPAC name of [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate (CID 177435753) is [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate.
What is the SMILES notation for [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate?
The canonical SMILES for [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate is CC(=O)OC/C(=C/CCCCCCCO)C[Si](C)(C)C.
What is the InChIKey of [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate?
The InChIKey is QXWCGRWAMKZFKH-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-15(18)19-13-16(14-20(2,3)4)11-9-7-5-6-8-10-12-17/h11,17H,5-10,12-14H2,1-4H3/b16-11-.
What are the key properties of [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate?
[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate has a molecular weight of 300.52 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate is sourced from PubChem (CID 177435753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).