methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate

C14H26O3Si — CID 13470495

IUPACmethyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate
SMILESCOC(=O)CCC=C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h7,10H,9,11-12H2,1-6H3
InChIKeyYNOAMCDKZLJFSA-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.67
Rot. Bonds6

About methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate

methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate (PubChem CID 13470495) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate.

Molecular Properties

Compound Namemethyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate
PubChem CID13470495
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate
SMILESCOC(=O)CCC=C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h7,10H,9,11-12H2,1-6H3
InChIKeyYNOAMCDKZLJFSA-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate?
The IUPAC name of methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate (CID 13470495) is methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate.
What is the SMILES notation for methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate?
The canonical SMILES for methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate is COC(=O)CCC=C=CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate?
The InChIKey is YNOAMCDKZLJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h7,10H,9,11-12H2,1-6H3.
What are the key properties of methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate?
methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate has a molecular weight of 270.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate is sourced from PubChem (CID 13470495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).