dichloromethane;ethane;ethyl acetate

C7H16Cl2O2 — CID 174366150

IUPACdichloromethane;ethane;ethyl acetate
SMILESCC.CCOC(C)=O.ClCCl
InChIInChI=1S/C4H8O2.C2H6.CH2Cl2/c1-3-6-4(2)5;1-2;2-1-3/h3H2,1-2H3;1-2H3;1H2
InChIKeyWEHBZDLEBYRVNK-UHFFFAOYSA-N
MW203.11 g/mol
LogP3.02
Rot. Bonds1

About dichloromethane;ethane;ethyl acetate

dichloromethane;ethane;ethyl acetate (PubChem CID 174366150) has the molecular formula C7H16Cl2O2 and a molecular weight of 203.11 g/mol. Its IUPAC name is dichloromethane;ethane;ethyl acetate.

Molecular Properties

Compound Namedichloromethane;ethane;ethyl acetate
PubChem CID174366150
Molecular FormulaC7H16Cl2O2
Molecular Weight203.11 g/mol
Exact Mass202.05
IUPAC Namedichloromethane;ethane;ethyl acetate
SMILESCC.CCOC(C)=O.ClCCl
InChIInChI=1S/C4H8O2.C2H6.CH2Cl2/c1-3-6-4(2)5;1-2;2-1-3/h3H2,1-2H3;1-2H3;1H2
InChIKeyWEHBZDLEBYRVNK-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichloromethane;ethane;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

(dichloromethane);ethyl acetate
CID 173005314
nonadecakis(dichloromethane);ethyl acetate
CID 172996515
benzene;dichloromethane;ethyl acetate
CID 160802901
dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol
CID 22169411
hexakis(dichloromethane);ethyl acetate;bis(hexane)
CID 173231857
ethane;ethyl acetate;urea
CID 142544694
chlorosulfanium;ethyl acetate
CID 22238075
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;trihydrochloride
CID 141039771

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethane;ethyl acetate?
The IUPAC name of dichloromethane;ethane;ethyl acetate (CID 174366150) is dichloromethane;ethane;ethyl acetate.
What is the SMILES notation for dichloromethane;ethane;ethyl acetate?
The canonical SMILES for dichloromethane;ethane;ethyl acetate is CC.CCOC(C)=O.ClCCl.
What is the InChIKey of dichloromethane;ethane;ethyl acetate?
The InChIKey is WEHBZDLEBYRVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H6.CH2Cl2/c1-3-6-4(2)5;1-2;2-1-3/h3H2,1-2H3;1-2H3;1H2.
What are the key properties of dichloromethane;ethane;ethyl acetate?
dichloromethane;ethane;ethyl acetate has a molecular weight of 203.11 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethane;ethyl acetate is sourced from PubChem (CID 174366150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).