3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile

C8H17NO2Si — CID 173444638

IUPAC3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile
SMILESCC(COCCC#N)C[SiH](C)O
InChIInChI=1S/C8H17NO2Si/c1-8(7-12(2)10)6-11-5-3-4-9/h8,10,12H,3,5-7H2,1-2H3
InChIKeySDHICKSWODMRLG-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.90
Rot. Bonds6

About 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile

3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile (PubChem CID 173444638) has the molecular formula C8H17NO2Si and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile.

Molecular Properties

Compound Name3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile
PubChem CID173444638
Molecular FormulaC8H17NO2Si
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile
SMILESCC(COCCC#N)C[SiH](C)O
InChIInChI=1S/C8H17NO2Si/c1-8(7-12(2)10)6-11-5-3-4-9/h8,10,12H,3,5-7H2,1-2H3
InChIKeySDHICKSWODMRLG-UHFFFAOYSA-N
XLogP0.90
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile?
The IUPAC name of 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile (CID 173444638) is 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile.
What is the SMILES notation for 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile?
The canonical SMILES for 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile is CC(COCCC#N)C[SiH](C)O.
What is the InChIKey of 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile?
The InChIKey is SDHICKSWODMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2Si/c1-8(7-12(2)10)6-11-5-3-4-9/h8,10,12H,3,5-7H2,1-2H3.
What are the key properties of 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile?
3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile has a molecular weight of 187.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile is sourced from PubChem (CID 173444638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).