(dichloromethane);ethyl acetate

C160H320Cl160O40 — CID 173005314

IUPAC(dichloromethane);ethyl acetate
SMILESCCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
InChIInChI=1S/20C4H8O2.80CH2Cl2/c20*1-3-6-4(2)5;80*2-1-3/h20*3H2,1-2H3;80*1H2
InChIKeyVMQZQAPCDYUUCI-UHFFFAOYSA-N
MW8556.76 g/mol
LogP125.11
Rot. Bonds20

About (dichloromethane);ethyl acetate

(dichloromethane);ethyl acetate (PubChem CID 173005314) has the molecular formula C160H320Cl160O40 and a molecular weight of 8556.76 g/mol. Its IUPAC name is (dichloromethane);ethyl acetate.

Molecular Properties

Compound Name(dichloromethane);ethyl acetate
PubChem CID173005314
Molecular FormulaC160H320Cl160O40
Molecular Weight8556.76 g/mol
Exact Mass8477.32
IUPAC Name(dichloromethane);ethyl acetate
SMILESCCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
InChIInChI=1S/20C4H8O2.80CH2Cl2/c20*1-3-6-4(2)5;80*2-1-3/h20*3H2,1-2H3;80*1H2
InChIKeyVMQZQAPCDYUUCI-UHFFFAOYSA-N
XLogP125.11
TPSA526.00 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms360
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5008556.76
LogP ≤ 5125.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

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Related Compounds

nonadecakis(dichloromethane);ethyl acetate
CID 172996515
dichloromethane;ethane;ethyl acetate
CID 174366150
benzene;dichloromethane;ethyl acetate
CID 160802901
hexakis(dichloromethane);ethyl acetate;bis(hexane)
CID 173231857
chlorosulfanium;ethyl acetate
CID 22238075
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859

Frequently Asked Questions

What is the IUPAC name of (dichloromethane);ethyl acetate?
The IUPAC name of (dichloromethane);ethyl acetate (CID 173005314) is (dichloromethane);ethyl acetate.
What is the SMILES notation for (dichloromethane);ethyl acetate?
The canonical SMILES for (dichloromethane);ethyl acetate is CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.
What is the InChIKey of (dichloromethane);ethyl acetate?
The InChIKey is VMQZQAPCDYUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/20C4H8O2.80CH2Cl2/c20*1-3-6-4(2)5;80*2-1-3/h20*3H2,1-2H3;80*1H2.
What are the key properties of (dichloromethane);ethyl acetate?
(dichloromethane);ethyl acetate has a molecular weight of 8556.76 g/mol, XLogP of 125.11, 20 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (dichloromethane);ethyl acetate is sourced from PubChem (CID 173005314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).