ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate

C18H36O3Si — CID 10471737

IUPACethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C18H36O3Si/c1-5-21-18(20)17(16-22(2,3)4)14-12-10-8-6-7-9-11-13-15-19/h14,19H,5-13,15-16H2,1-4H3/b17-14+
InChIKeyUONPBJSLVAUZQT-SAPNQHFASA-N
MW328.57 g/mol
LogP4.93
Rot. Bonds13

About ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate

ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate (PubChem CID 10471737) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate
PubChem CID10471737
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Nameethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C18H36O3Si/c1-5-21-18(20)17(16-22(2,3)4)14-12-10-8-6-7-9-11-13-15-19/h14,19H,5-13,15-16H2,1-4H3/b17-14+
InChIKeyUONPBJSLVAUZQT-SAPNQHFASA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.93
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

(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 11772258
methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate
CID 24949356
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
Dodecyl 4,7-dihydroxy-2-methylhept-2-enoate
CID 91270227
methyl (Z)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 101049472
ethyl (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8,10-pentamethyldodeca-2,10-dienoate
CID 134940787
ethyl (E)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
CID 10042076
ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
CID 10336525
ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate
CID 10340015
ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate
CID 10356686
[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 10883525

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate?
The IUPAC name of ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate (CID 10471737) is ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate.
What is the SMILES notation for ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate?
The canonical SMILES for ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate is CCOC(=O)/C(=C/CCCCCCCCCO)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate?
The InChIKey is UONPBJSLVAUZQT-SAPNQHFASA-N. The full InChI is InChI=1S/C18H36O3Si/c1-5-21-18(20)17(16-22(2,3)4)14-12-10-8-6-7-9-11-13-15-19/h14,19H,5-13,15-16H2,1-4H3/b17-14+.
What are the key properties of ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate?
ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate has a molecular weight of 328.57 g/mol, XLogP of 4.93, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate is sourced from PubChem (CID 10471737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).