4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal

C15H30O2Si — CID 11129395

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal
SMILESC=CC(C)(C)C(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-15(5,6)13(11-10-12-16)17-18(7,8)14(2,3)4/h9,12-13H,1,10-11H2,2-8H3
InChIKeyFEXSQEUCZZTFNW-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal

4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal (PubChem CID 11129395) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal
PubChem CID11129395
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal
SMILESC=CC(C)(C)C(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-15(5,6)13(11-10-12-16)17-18(7,8)14(2,3)4/h9,12-13H,1,10-11H2,2-8H3
InChIKeyFEXSQEUCZZTFNW-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal (CID 11129395) is 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal is C=CC(C)(C)C(CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal?
The InChIKey is FEXSQEUCZZTFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-15(5,6)13(11-10-12-16)17-18(7,8)14(2,3)4/h9,12-13H,1,10-11H2,2-8H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal?
4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal has a molecular weight of 270.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-6-enal is sourced from PubChem (CID 11129395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).