2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde

C16H30O4Si — CID 11255485

IUPAC2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde
SMILESCC[Si](CC)(CC)OC1(CC=O)CCC2(CC1)OCCO2
InChIInChI=1S/C16H30O4Si/c1-4-21(5-2,6-3)20-15(11-12-17)7-9-16(10-8-15)18-13-14-19-16/h12H,4-11,13-14H2,1-3H3
InChIKeyZWRVSDIOENXYML-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.65
Rot. Bonds7

About 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde

2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde (PubChem CID 11255485) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde
PubChem CID11255485
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde
SMILESCC[Si](CC)(CC)OC1(CC=O)CCC2(CC1)OCCO2
InChIInChI=1S/C16H30O4Si/c1-4-21(5-2,6-3)20-15(11-12-17)7-9-16(10-8-15)18-13-14-19-16/h12H,4-11,13-14H2,1-3H3
InChIKeyZWRVSDIOENXYML-UHFFFAOYSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde?
The IUPAC name of 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde (CID 11255485) is 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde.
What is the SMILES notation for 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde?
The canonical SMILES for 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde is CC[Si](CC)(CC)OC1(CC=O)CCC2(CC1)OCCO2.
What is the InChIKey of 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde?
The InChIKey is ZWRVSDIOENXYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-4-21(5-2,6-3)20-15(11-12-17)7-9-16(10-8-15)18-13-14-19-16/h12H,4-11,13-14H2,1-3H3.
What are the key properties of 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde?
2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde has a molecular weight of 314.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-triethylsilyloxy-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde is sourced from PubChem (CID 11255485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).