2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile

C13H20N2O — CID 20607778

IUPAC2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile
SMILESCCOC1CCC(C)(C(C#N)C#N)C1(C)C
InChIInChI=1S/C13H20N2O/c1-5-16-11-6-7-13(4,12(11,2)3)10(8-14)9-15/h10-11H,5-7H2,1-4H3
InChIKeyKFPMRSJSPZKNJH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.88
Rot. Bonds3

About 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile

2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile (PubChem CID 20607778) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile.

Molecular Properties

Compound Name2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile
PubChem CID20607778
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile
SMILESCCOC1CCC(C)(C(C#N)C#N)C1(C)C
InChIInChI=1S/C13H20N2O/c1-5-16-11-6-7-13(4,12(11,2)3)10(8-14)9-15/h10-11H,5-7H2,1-4H3
InChIKeyKFPMRSJSPZKNJH-UHFFFAOYSA-N
XLogP2.88
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile?
The IUPAC name of 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile (CID 20607778) is 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile.
What is the SMILES notation for 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile?
The canonical SMILES for 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile is CCOC1CCC(C)(C(C#N)C#N)C1(C)C.
What is the InChIKey of 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile?
The InChIKey is KFPMRSJSPZKNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-16-11-6-7-13(4,12(11,2)3)10(8-14)9-15/h10-11H,5-7H2,1-4H3.
What are the key properties of 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile?
2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile has a molecular weight of 220.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile is sourced from PubChem (CID 20607778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).