7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate

C15H28O3Si — CID 57291525

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate
SMILESCC(=O)OCCCC=C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7,11H,8,10,12-13H2,1-6H3
InChIKeyQMIKJRCQXMGGLO-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.06
Rot. Bonds7

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

7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate (PubChem CID 57291525) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate
PubChem CID57291525
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate
SMILESCC(=O)OCCCC=C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7,11H,8,10,12-13H2,1-6H3
InChIKeyQMIKJRCQXMGGLO-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 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate (CID 57291525) is 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate is CC(=O)OCCCC=C=CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate?
The InChIKey is QMIKJRCQXMGGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(16)17-12-10-8-7-9-11-13-18-19(5,6)15(2,3)4/h7,11H,8,10,12-13H2,1-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate?
7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate 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 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate is sourced from PubChem (CID 57291525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).