ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate

C14H28O3Si — CID 11807839

IUPACethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCO)C[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-5-17-14(16)13(12-18(2,3)4)10-8-6-7-9-11-15/h10,15H,5-9,11-12H2,1-4H3/b13-10+
InChIKeyCJUBGYMJWMVUAF-JLHYYAGUSA-N
MW272.46 g/mol
LogP3.37
Rot. Bonds9

About ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate

ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate (PubChem CID 11807839) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate
PubChem CID11807839
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCO)C[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-5-17-14(16)13(12-18(2,3)4)10-8-6-7-9-11-15/h10,15H,5-9,11-12H2,1-4H3/b13-10+
InChIKeyCJUBGYMJWMVUAF-JLHYYAGUSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.37
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

ethyl (2E)-8-hydroxy-2-octenoate
CID 13555696
methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 134983282
methyl (Z)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 134983433
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
ethyl (Z)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 154722964
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
(7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
CID 14737040
[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate
CID 177435753
[(Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enyl] 2,2-dimethylpropanoate
CID 177549037

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate?
The IUPAC name of ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate (CID 11807839) is ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate.
What is the SMILES notation for ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate?
The canonical SMILES for ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate is CCOC(=O)/C(=C/CCCCCO)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate?
The InChIKey is CJUBGYMJWMVUAF-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-5-17-14(16)13(12-18(2,3)4)10-8-6-7-9-11-15/h10,15H,5-9,11-12H2,1-4H3/b13-10+.
What are the key properties of ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate?
ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-8-hydroxy-2-(trimethylsilylmethyl)oct-2-enoate is sourced from PubChem (CID 11807839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).