2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal

C15H30O2Si — CID 11231041

IUPAC2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal
SMILESC=CCC(C)(C)C(C=O)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-10-12-15(13-16,17-18(5,6)7)14(3,4)11-9-2/h9,13H,2,8,10-12H2,1,3-7H3
InChIKeyJAIWOTRXFLZHTF-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds9

About 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal

2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal (PubChem CID 11231041) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal.

Molecular Properties

Compound Name2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal
PubChem CID11231041
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal
SMILESC=CCC(C)(C)C(C=O)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-10-12-15(13-16,17-18(5,6)7)14(3,4)11-9-2/h9,13H,2,8,10-12H2,1,3-7H3
InChIKeyJAIWOTRXFLZHTF-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal?
The IUPAC name of 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal (CID 11231041) is 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal.
What is the SMILES notation for 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal?
The canonical SMILES for 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal is C=CCC(C)(C)C(C=O)(CCCC)O[Si](C)(C)C.
What is the InChIKey of 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal?
The InChIKey is JAIWOTRXFLZHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-10-12-15(13-16,17-18(5,6)7)14(3,4)11-9-2/h9,13H,2,8,10-12H2,1,3-7H3.
What are the key properties of 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal?
2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal has a molecular weight of 270.49 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal is sourced from PubChem (CID 11231041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).