benzene;dichloromethane;ethyl acetate

C11H16Cl2O2 — CID 160802901

IUPACbenzene;dichloromethane;ethyl acetate
SMILESCCOC(C)=O.ClCCl.c1ccccc1
InChIInChI=1S/C6H6.C4H8O2.CH2Cl2/c1-2-4-6-5-3-1;1-3-6-4(2)5;2-1-3/h1-6H;3H2,1-2H3;1H2
InChIKeySDHWHBXMAGLBSE-UHFFFAOYSA-N
MW251.15 g/mol
LogP3.68
Rot. Bonds1

About benzene;dichloromethane;ethyl acetate

benzene;dichloromethane;ethyl acetate (PubChem CID 160802901) has the molecular formula C11H16Cl2O2 and a molecular weight of 251.15 g/mol. Its IUPAC name is benzene;dichloromethane;ethyl acetate.

Molecular Properties

Compound Namebenzene;dichloromethane;ethyl acetate
PubChem CID160802901
Molecular FormulaC11H16Cl2O2
Molecular Weight251.15 g/mol
Exact Mass250.05
IUPAC Namebenzene;dichloromethane;ethyl acetate
SMILESCCOC(C)=O.ClCCl.c1ccccc1
InChIInChI=1S/C6H6.C4H8O2.CH2Cl2/c1-2-4-6-5-3-1;1-3-6-4(2)5;2-1-3/h1-6H;3H2,1-2H3;1H2
InChIKeySDHWHBXMAGLBSE-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;dichloromethane;ethyl acetate?
The IUPAC name of benzene;dichloromethane;ethyl acetate (CID 160802901) is benzene;dichloromethane;ethyl acetate.
What is the SMILES notation for benzene;dichloromethane;ethyl acetate?
The canonical SMILES for benzene;dichloromethane;ethyl acetate is CCOC(C)=O.ClCCl.c1ccccc1.
What is the InChIKey of benzene;dichloromethane;ethyl acetate?
The InChIKey is SDHWHBXMAGLBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H8O2.CH2Cl2/c1-2-4-6-5-3-1;1-3-6-4(2)5;2-1-3/h1-6H;3H2,1-2H3;1H2.
What are the key properties of benzene;dichloromethane;ethyl acetate?
benzene;dichloromethane;ethyl acetate has a molecular weight of 251.15 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dichloromethane;ethyl acetate is sourced from PubChem (CID 160802901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).