methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate

C25H32O3Si — CID 14778762

IUPACmethyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate
SMILESCOC(=O)CCCC=C=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O3Si/c1-25(2,3)29(22-16-10-8-11-17-22,23-18-12-9-13-19-23)28-21-15-7-5-6-14-20-24(26)27-4/h5,8-13,15-19H,6,14,20-21H2,1-4H3
InChIKeyHRTLDURBLLJFFL-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.62
Rot. Bonds9

About methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate

methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate (PubChem CID 14778762) has the molecular formula C25H32O3Si and a molecular weight of 408.61 g/mol. Its IUPAC name is methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate.

Molecular Properties

Compound Namemethyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate
PubChem CID14778762
Molecular FormulaC25H32O3Si
Molecular Weight408.61 g/mol
Exact Mass408.21
IUPAC Namemethyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate
SMILESCOC(=O)CCCC=C=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O3Si/c1-25(2,3)29(22-16-10-8-11-17-22,23-18-12-9-13-19-23)28-21-15-7-5-6-14-20-24(26)27-4/h5,8-13,15-19H,6,14,20-21H2,1-4H3
InChIKeyHRTLDURBLLJFFL-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.62
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(diphenyl)silyl]oxyocta-5,6-dienoate?
The IUPAC name of methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate (CID 14778762) is methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate.
What is the SMILES notation for methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate?
The canonical SMILES for methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate is COC(=O)CCCC=C=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate?
The InChIKey is HRTLDURBLLJFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O3Si/c1-25(2,3)29(22-16-10-8-11-17-22,23-18-12-9-13-19-23)28-21-15-7-5-6-14-20-24(26)27-4/h5,8-13,15-19H,6,14,20-21H2,1-4H3.
What are the key properties of methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate?
methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate has a molecular weight of 408.61 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate is sourced from PubChem (CID 14778762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).