chloroform;ethyl acetate

C40H60Cl60O10 — CID 173321498

IUPACchloroform;ethyl acetate
SMILESCCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/5C4H8O2.20CHCl3/c5*1-3-6-4(2)5;20*2-1(3)4/h5*3H2,1-2H3;20*1H
InChIKeyLPFIPCZKHFAGHJ-UHFFFAOYSA-N
MW2828.09 g/mol
LogP42.58
Rot. Bonds5

About chloroform;ethyl acetate

chloroform;ethyl acetate (PubChem CID 173321498) has the molecular formula C40H60Cl60O10 and a molecular weight of 2828.09 g/mol. Its IUPAC name is chloroform;ethyl acetate.

Molecular Properties

Compound Namechloroform;ethyl acetate
PubChem CID173321498
Molecular FormulaC40H60Cl60O10
Molecular Weight2828.09 g/mol
Exact Mass2798.55
IUPAC Namechloroform;ethyl acetate
SMILESCCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/5C4H8O2.20CHCl3/c5*1-3-6-4(2)5;20*2-1(3)4/h5*3H2,1-2H3;20*1H
InChIKeyLPFIPCZKHFAGHJ-UHFFFAOYSA-N
XLogP42.58
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002828.09
LogP ≤ 542.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

chloroform;ethyl acetate
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CID 22063688
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benzene;chloroform;ethyl acetate;tetrachloromethane
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CID 22238075
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CID 173005314
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CID 172996515
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of chloroform;ethyl acetate?
The IUPAC name of chloroform;ethyl acetate (CID 173321498) is chloroform;ethyl acetate.
What is the SMILES notation for chloroform;ethyl acetate?
The canonical SMILES for chloroform;ethyl acetate is CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.
What is the InChIKey of chloroform;ethyl acetate?
The InChIKey is LPFIPCZKHFAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H8O2.20CHCl3/c5*1-3-6-4(2)5;20*2-1(3)4/h5*3H2,1-2H3;20*1H.
What are the key properties of chloroform;ethyl acetate?
chloroform;ethyl acetate has a molecular weight of 2828.09 g/mol, XLogP of 42.58, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethyl acetate is sourced from PubChem (CID 173321498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).