ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate

C15H30O3Si — CID 10356686

IUPACethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C15H30O3Si/c1-5-18-15(17)14(13-19(2,3)4)11-9-7-6-8-10-12-16/h11,16H,5-10,12-13H2,1-4H3/b14-11+
InChIKeyXKEVCRCFBQPWJQ-SDNWHVSQSA-N
MW286.49 g/mol
LogP3.76
Rot. Bonds10

About ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate

ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate (PubChem CID 10356686) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate
PubChem CID10356686
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nameethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C15H30O3Si/c1-5-18-15(17)14(13-19(2,3)4)11-9-7-6-8-10-12-16/h11,16H,5-10,12-13H2,1-4H3/b14-11+
InChIKeyXKEVCRCFBQPWJQ-SDNWHVSQSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.76
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 11772258
methyl (Z)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 101049472
ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate
CID 10340015
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)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate
CID 177435753
[(Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enyl] 2,2-dimethylpropanoate
CID 177549037
ethyl (Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enoate
CID 177562154
(E)-ethyl 7-hydroxy-2-methyl-2-heptenate
CID 10559469
[[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 ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate?
The IUPAC name of ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate (CID 10356686) is ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate.
What is the SMILES notation for ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate?
The canonical SMILES for ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate is CCOC(=O)/C(=C/CCCCCCO)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate?
The InChIKey is XKEVCRCFBQPWJQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-5-18-15(17)14(13-19(2,3)4)11-9-7-6-8-10-12-16/h11,16H,5-10,12-13H2,1-4H3/b14-11+.
What are the key properties of ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate?
ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate has a molecular weight of 286.49 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate is sourced from PubChem (CID 10356686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).