4-[methyl(silyloxy)silyl]butanenitrile

C5H13NOSi2 — CID 173149550

IUPAC4-[methyl(silyloxy)silyl]butanenitrile
SMILESC[SiH](CCCC#N)O[SiH3]
InChIInChI=1S/C5H13NOSi2/c1-9(7-8)5-3-2-4-6/h9H,2-3,5H2,1,8H3
InChIKeyIEVRLCUXVIYNAA-UHFFFAOYSA-N
MW159.34 g/mol
LogP-0.06
Rot. Bonds4

About 4-[methyl(silyloxy)silyl]butanenitrile

4-[methyl(silyloxy)silyl]butanenitrile (PubChem CID 173149550) has the molecular formula C5H13NOSi2 and a molecular weight of 159.34 g/mol. Its IUPAC name is 4-[methyl(silyloxy)silyl]butanenitrile.

Molecular Properties

Compound Name4-[methyl(silyloxy)silyl]butanenitrile
PubChem CID173149550
Molecular FormulaC5H13NOSi2
Molecular Weight159.34 g/mol
Exact Mass159.05
IUPAC Name4-[methyl(silyloxy)silyl]butanenitrile
SMILESC[SiH](CCCC#N)O[SiH3]
InChIInChI=1S/C5H13NOSi2/c1-9(7-8)5-3-2-4-6/h9H,2-3,5H2,1,8H3
InChIKeyIEVRLCUXVIYNAA-UHFFFAOYSA-N
XLogP-0.06
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(phenyl)silyl]butanenitrile
CID 123718156
henicosanedinitrile
CID 87345062
ethane;5-hydroxypentanenitrile
CID 144859936
5-silylpentanenitrile
CID 173242016
6,6-dichloro-5-silyloxyhexanenitrile
CID 173033719
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
12-silyldodecanenitrile
CID 150980762
12-triethoxysilyldodecanenitrile
CID 45158997
6-methylheptanenitrile
CID 22036153
4-hydroperoxybutanenitrile
CID 56625619
4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
CID 170685707

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(silyloxy)silyl]butanenitrile?
The IUPAC name of 4-[methyl(silyloxy)silyl]butanenitrile (CID 173149550) is 4-[methyl(silyloxy)silyl]butanenitrile.
What is the SMILES notation for 4-[methyl(silyloxy)silyl]butanenitrile?
The canonical SMILES for 4-[methyl(silyloxy)silyl]butanenitrile is C[SiH](CCCC#N)O[SiH3].
What is the InChIKey of 4-[methyl(silyloxy)silyl]butanenitrile?
The InChIKey is IEVRLCUXVIYNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOSi2/c1-9(7-8)5-3-2-4-6/h9H,2-3,5H2,1,8H3.
What are the key properties of 4-[methyl(silyloxy)silyl]butanenitrile?
4-[methyl(silyloxy)silyl]butanenitrile has a molecular weight of 159.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(silyloxy)silyl]butanenitrile is sourced from PubChem (CID 173149550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).