4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile

C15H26N2O2 — CID 91220795

IUPAC4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile
SMILESCC(C)(CCC#N)OCCCC(C)(C)OCCC#N
InChIInChI=1S/C15H26N2O2/c1-14(2,8-5-10-16)18-12-6-9-15(3,4)19-13-7-11-17/h5-9,12-13H2,1-4H3
InChIKeySWGKQDWKURDFBB-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.57
Rot. Bonds10

About 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile

4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile (PubChem CID 91220795) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile.

Molecular Properties

Compound Name4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile
PubChem CID91220795
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile
SMILESCC(C)(CCC#N)OCCCC(C)(C)OCCC#N
InChIInChI=1S/C15H26N2O2/c1-14(2,8-5-10-16)18-12-6-9-15(3,4)19-13-7-11-17/h5-9,12-13H2,1-4H3
InChIKeySWGKQDWKURDFBB-UHFFFAOYSA-N
XLogP3.57
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile?
The IUPAC name of 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile (CID 91220795) is 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile.
What is the SMILES notation for 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile?
The canonical SMILES for 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile is CC(C)(CCC#N)OCCCC(C)(C)OCCC#N.
What is the InChIKey of 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile?
The InChIKey is SWGKQDWKURDFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(2,8-5-10-16)18-12-6-9-15(3,4)19-13-7-11-17/h5-9,12-13H2,1-4H3.
What are the key properties of 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile?
4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile has a molecular weight of 266.38 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyanoethoxy)-4-methylpentoxy]-4-methylpentanenitrile is sourced from PubChem (CID 91220795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).