ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate

C22H44O4Si — CID 89447722

IUPACethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate
SMILESC=C(OCC)C(CC)(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C22H44O4Si/c1-10-22(19(4)24-11-2,20(23)25-12-3)17-15-13-14-16-18-26-27(8,9)21(5,6)7/h4,10-18H2,1-3,5-9H3
InChIKeyHQCBFUVHEATZDF-UHFFFAOYSA-N
MW400.68 g/mol
LogP6.47
Rot. Bonds14

About ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate

ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate (PubChem CID 89447722) has the molecular formula C22H44O4Si and a molecular weight of 400.68 g/mol. Its IUPAC name is ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate.

Molecular Properties

Compound Nameethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate
PubChem CID89447722
Molecular FormulaC22H44O4Si
Molecular Weight400.68 g/mol
Exact Mass400.30
IUPAC Nameethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate
SMILESC=C(OCC)C(CC)(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C22H44O4Si/c1-10-22(19(4)24-11-2,20(23)25-12-3)17-15-13-14-16-18-26-27(8,9)21(5,6)7/h4,10-18H2,1-3,5-9H3
InChIKeyHQCBFUVHEATZDF-UHFFFAOYSA-N
XLogP6.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
CID 10893618
Diethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylideneheptyl]propanedioate
CID 19904720
methyl (2S)-2-[(2S,5S,6S)-6-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-2-yl]-5-methyloxan-2-yl]propanoate
CID 11475450
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyloct-7-enoate
CID 11551629
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate
CID 11603139
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-(3-iodopropyl)cyclohept-2-ene-1-carboxylate
CID 11733324
Ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclohexane-1-carboxylate
CID 42611801
Methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate
CID 71659120
tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate
CID 101165407
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-12-(2,2-dimethylpropanoyloxy)-2-prop-2-enyldodecanoate
CID 101398238
Methyl 6-butyl-12-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyldodeca-6,7-dienoate
CID 101546965
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-iodobutyl)cyclohept-2-ene-1-carboxylate
CID 101707711

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate?
The IUPAC name of ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate (CID 89447722) is ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate.
What is the SMILES notation for ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate?
The canonical SMILES for ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate is C=C(OCC)C(CC)(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate?
The InChIKey is HQCBFUVHEATZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O4Si/c1-10-22(19(4)24-11-2,20(23)25-12-3)17-15-13-14-16-18-26-27(8,9)21(5,6)7/h4,10-18H2,1-3,5-9H3.
What are the key properties of ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate?
ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate has a molecular weight of 400.68 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxyethenyl)-2-ethyloctanoate is sourced from PubChem (CID 89447722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).