4-(oxasilinan-2-yl)pentanenitrile

C9H17NOSi — CID 175149577

IUPAC4-(oxasilinan-2-yl)pentanenitrile
SMILESCC(CCC#N)[SiH]1CCCCO1
InChIInChI=1S/C9H17NOSi/c1-9(5-4-6-10)12-8-3-2-7-11-12/h9,12H,2-5,7-8H2,1H3
InChIKeyJZUHRUIFNJFJGC-UHFFFAOYSA-N
MW183.33 g/mol
LogP2.21
Rot. Bonds3

About 4-(oxasilinan-2-yl)pentanenitrile

4-(oxasilinan-2-yl)pentanenitrile (PubChem CID 175149577) has the molecular formula C9H17NOSi and a molecular weight of 183.33 g/mol. Its IUPAC name is 4-(oxasilinan-2-yl)pentanenitrile.

Molecular Properties

Compound Name4-(oxasilinan-2-yl)pentanenitrile
PubChem CID175149577
Molecular FormulaC9H17NOSi
Molecular Weight183.33 g/mol
Exact Mass183.11
IUPAC Name4-(oxasilinan-2-yl)pentanenitrile
SMILESCC(CCC#N)[SiH]1CCCCO1
InChIInChI=1S/C9H17NOSi/c1-9(5-4-6-10)12-8-3-2-7-11-12/h9,12H,2-5,7-8H2,1H3
InChIKeyJZUHRUIFNJFJGC-UHFFFAOYSA-N
XLogP2.21
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(oxasilinan-2-yl)pentanenitrile?
The IUPAC name of 4-(oxasilinan-2-yl)pentanenitrile (CID 175149577) is 4-(oxasilinan-2-yl)pentanenitrile.
What is the SMILES notation for 4-(oxasilinan-2-yl)pentanenitrile?
The canonical SMILES for 4-(oxasilinan-2-yl)pentanenitrile is CC(CCC#N)[SiH]1CCCCO1.
What is the InChIKey of 4-(oxasilinan-2-yl)pentanenitrile?
The InChIKey is JZUHRUIFNJFJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOSi/c1-9(5-4-6-10)12-8-3-2-7-11-12/h9,12H,2-5,7-8H2,1H3.
What are the key properties of 4-(oxasilinan-2-yl)pentanenitrile?
4-(oxasilinan-2-yl)pentanenitrile has a molecular weight of 183.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxasilinan-2-yl)pentanenitrile is sourced from PubChem (CID 175149577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).