methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate

C15H28O3Si — CID 57002312

IUPACmethyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate
SMILESCOC(=O)CCC=C=CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-11-9-7-8-10-12-14(16)17-4/h8-9H,10-13H2,1-6H3
InChIKeyDTLQLCCNIGPQQF-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.06
Rot. Bonds7

About methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate

methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate (PubChem CID 57002312) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate.

Molecular Properties

Compound Namemethyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate
PubChem CID57002312
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate
SMILESCOC(=O)CCC=C=CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-11-9-7-8-10-12-14(16)17-4/h8-9H,10-13H2,1-6H3
InChIKeyDTLQLCCNIGPQQF-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate?
The IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate (CID 57002312) is methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate.
What is the SMILES notation for methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate?
The canonical SMILES for methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate is COC(=O)CCC=C=CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate?
The InChIKey is DTLQLCCNIGPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-11-9-7-8-10-12-14(16)17-4/h8-9H,10-13H2,1-6H3.
What are the key properties of methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate?
methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate has a molecular weight of 284.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate is sourced from PubChem (CID 57002312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).