5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal

C18H34O2Si — CID 102401914

IUPAC5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal
SMILESCC[Si](CC)(CC)OC(C=O)(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C18H34O2Si/c1-8-21(9-2,10-3)20-18(15-19,13-11-16(4)5)14-12-17(6)7/h11-12,15H,8-10,13-14H2,1-7H3
InChIKeyAIPIQATYFOBLJU-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.66
Rot. Bonds10

About 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal

5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal (PubChem CID 102401914) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal.

Molecular Properties

Compound Name5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal
PubChem CID102401914
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal
SMILESCC[Si](CC)(CC)OC(C=O)(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C18H34O2Si/c1-8-21(9-2,10-3)20-18(15-19,13-11-16(4)5)14-12-17(6)7/h11-12,15H,8-10,13-14H2,1-7H3
InChIKeyAIPIQATYFOBLJU-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.66
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 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal?
The IUPAC name of 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal (CID 102401914) is 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal.
What is the SMILES notation for 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal?
The canonical SMILES for 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal is CC[Si](CC)(CC)OC(C=O)(CC=C(C)C)CC=C(C)C.
What is the InChIKey of 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal?
The InChIKey is AIPIQATYFOBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-8-21(9-2,10-3)20-18(15-19,13-11-16(4)5)14-12-17(6)7/h11-12,15H,8-10,13-14H2,1-7H3.
What are the key properties of 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal?
5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal has a molecular weight of 310.55 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal is sourced from PubChem (CID 102401914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).