4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile

C9H17NO2Si — CID 91600100

IUPAC4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile
SMILESC1COC2(CC2)O1.C[Si](C)(C)C#N
InChIInChI=1S/C5H8O2.C4H9NSi/c1-2-5(1)6-3-4-7-5;1-6(2,3)4-5/h1-4H2;1-3H3
InChIKeyHJFAISJLDJHWRI-UHFFFAOYSA-N
MW199.33 g/mol
LogP1.91
Rot. Bonds

About 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile

4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile (PubChem CID 91600100) has the molecular formula C9H17NO2Si and a molecular weight of 199.33 g/mol. Its IUPAC name is 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile.

Molecular Properties

Compound Name4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile
PubChem CID91600100
Molecular FormulaC9H17NO2Si
Molecular Weight199.33 g/mol
Exact Mass199.10
IUPAC Name4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile
SMILESC1COC2(CC2)O1.C[Si](C)(C)C#N
InChIInChI=1S/C5H8O2.C4H9NSi/c1-2-5(1)6-3-4-7-5;1-6(2,3)4-5/h1-4H2;1-3H3
InChIKeyHJFAISJLDJHWRI-UHFFFAOYSA-N
XLogP1.91
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802681
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 21134196
8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 65420975
4,9-dioxaspiro[2.6]nonane
CID 68651979
ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931263
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802976
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carbonitrile
CID 79128740
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
8-(methylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 165465927
ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931271

Frequently Asked Questions

What is the IUPAC name of 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile?
The IUPAC name of 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile (CID 91600100) is 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile.
What is the SMILES notation for 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile?
The canonical SMILES for 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile is C1COC2(CC2)O1.C[Si](C)(C)C#N.
What is the InChIKey of 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile?
The InChIKey is HJFAISJLDJHWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H9NSi/c1-2-5(1)6-3-4-7-5;1-6(2,3)4-5/h1-4H2;1-3H3.
What are the key properties of 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile?
4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile has a molecular weight of 199.33 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile is sourced from PubChem (CID 91600100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).