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

C13H24O2Si — CID 57194511

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal
SMILESCC(C)(C)[Si](C)(C)OCC=C=CCCC=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6,10-11H,7,9,12H2,1-5H3
InChIKeyHDWDDQXNFJXQEW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.70
Rot. Bonds6

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

7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal (PubChem CID 57194511) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal
PubChem CID57194511
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal
SMILESCC(C)(C)[Si](C)(C)OCC=C=CCCC=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6,10-11H,7,9,12H2,1-5H3
InChIKeyHDWDDQXNFJXQEW-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-dienal?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal (CID 57194511) is 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal is CC(C)(C)[Si](C)(C)OCC=C=CCCC=O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal?
The InChIKey is HDWDDQXNFJXQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6,10-11H,7,9,12H2,1-5H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal?
7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal has a molecular weight of 240.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienal is sourced from PubChem (CID 57194511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).