7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate

C15H24O3Si — CID 46198142

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate
SMILESCC(=O)OCC#CC=C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7,11H,12-13H2,1-6H3
InChIKeyZLBUSIGTVJTRSK-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.29
Rot. Bonds4

About 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate

7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate (PubChem CID 46198142) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate
PubChem CID46198142
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate
SMILESCC(=O)OCC#CC=C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7,11H,12-13H2,1-6H3
InChIKeyZLBUSIGTVJTRSK-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate (CID 46198142) is 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate is CC(=O)OCC#CC=C=CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate?
The InChIKey is ZLBUSIGTVJTRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7,11H,12-13H2,1-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate?
7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate has a molecular weight of 280.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dien-2-ynyl acetate is sourced from PubChem (CID 46198142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).