ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate

C19H38O4Si — CID 135070686

IUPACethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
SMILESCCOC(=O)C(CCCCCCCO[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C19H38O4Si/c1-8-22-18(21)17(16(2)20)14-12-10-9-11-13-15-23-24(6,7)19(3,4)5/h17H,8-15H2,1-7H3
InChIKeySZUKAUIMMBRFGQ-UHFFFAOYSA-N
MW358.60 g/mol
LogP5.12
Rot. Bonds12

About ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate

ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate (PubChem CID 135070686) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate.

Molecular Properties

Compound Nameethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
PubChem CID135070686
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Nameethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
SMILESCCOC(=O)C(CCCCCCCO[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C19H38O4Si/c1-8-22-18(21)17(16(2)20)14-12-10-9-11-13-15-23-24(6,7)19(3,4)5/h17H,8-15H2,1-7H3
InChIKeySZUKAUIMMBRFGQ-UHFFFAOYSA-N
XLogP5.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2-Carbethoxycyclopentadecanone
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Ethyl a-acetylstearate
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Ethyl 2-hexyl-3-oxodecanoate
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1-(Tert-butyl) 8-ethyl 2-acetyloctanedioate
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Octadecyl 2-hexadecyl-3-oxoicosanoate
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Ethyl 2-acetyltetradecanoate
CID 220826
2-Acetyltridecanoic acid, ethyl ester
CID 539486
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CID 85984791

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate?
The IUPAC name of ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate (CID 135070686) is ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate.
What is the SMILES notation for ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate?
The canonical SMILES for ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate is CCOC(=O)C(CCCCCCCO[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate?
The InChIKey is SZUKAUIMMBRFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-8-22-18(21)17(16(2)20)14-12-10-9-11-13-15-23-24(6,7)19(3,4)5/h17H,8-15H2,1-7H3.
What are the key properties of ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate?
ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate has a molecular weight of 358.60 g/mol, XLogP of 5.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate is sourced from PubChem (CID 135070686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).