acetonitrile;ethyl acetate

C10H19NO4 — CID 158437642

IUPACacetonitrile;ethyl acetate
SMILESCC#N.CCOC(C)=O.CCOC(C)=O
InChIInChI=1S/2C4H8O2.C2H3N/c2*1-3-6-4(2)5;1-2-3/h2*3H2,1-2H3;1H3
InChIKeyHCKURIJUGPYWBE-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.67
Rot. Bonds2

About acetonitrile;ethyl acetate

acetonitrile;ethyl acetate (PubChem CID 158437642) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is acetonitrile;ethyl acetate.

Molecular Properties

Compound Nameacetonitrile;ethyl acetate
PubChem CID158437642
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameacetonitrile;ethyl acetate
SMILESCC#N.CCOC(C)=O.CCOC(C)=O
InChIInChI=1S/2C4H8O2.C2H3N/c2*1-3-6-4(2)5;1-2-3/h2*3H2,1-2H3;1H3
InChIKeyHCKURIJUGPYWBE-UHFFFAOYSA-N
XLogP1.67
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze acetonitrile;ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(acetonitrile);ethyl acetate
CID 87902691
acetonitrile;ethyl acetate;heptane
CID 159862103
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;tetrahydrate
CID 173019761
acetonitrile;chloroform;ethyl acetate;methanol;propan-2-one
CID 159599505
acetic acid;acetonitrile;1,2-dimethoxyethane;ethyl acetate
CID 173461682
but-2-yne;ethyl acetate
CID 175723988
ethyl acetate;nickel;pentahydrate
CID 175168185

Frequently Asked Questions

What is the IUPAC name of acetonitrile;ethyl acetate?
The IUPAC name of acetonitrile;ethyl acetate (CID 158437642) is acetonitrile;ethyl acetate.
What is the SMILES notation for acetonitrile;ethyl acetate?
The canonical SMILES for acetonitrile;ethyl acetate is CC#N.CCOC(C)=O.CCOC(C)=O.
What is the InChIKey of acetonitrile;ethyl acetate?
The InChIKey is HCKURIJUGPYWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2.C2H3N/c2*1-3-6-4(2)5;1-2-3/h2*3H2,1-2H3;1H3.
What are the key properties of acetonitrile;ethyl acetate?
acetonitrile;ethyl acetate has a molecular weight of 217.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;ethyl acetate is sourced from PubChem (CID 158437642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).