nonadecakis(dichloromethane);ethyl acetate

C23H46Cl38O2 — CID 172996515

IUPACnonadecakis(dichloromethane);ethyl acetate
SMILESCCOC(C)=O.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
InChIInChI=1S/C4H8O2.19CH2Cl2/c1-3-6-4(2)5;19*2-1-3/h3H2,1-2H3;19*1H2
InChIKeyILTZIUYUSHKQDF-UHFFFAOYSA-N
MW1701.83 g/mol
LogP27.58
Rot. Bonds1

About nonadecakis(dichloromethane);ethyl acetate

nonadecakis(dichloromethane);ethyl acetate (PubChem CID 172996515) has the molecular formula C23H46Cl38O2 and a molecular weight of 1701.83 g/mol. Its IUPAC name is nonadecakis(dichloromethane);ethyl acetate.

Molecular Properties

Compound Namenonadecakis(dichloromethane);ethyl acetate
PubChem CID172996515
Molecular FormulaC23H46Cl38O2
Molecular Weight1701.83 g/mol
Exact Mass1683.17
IUPAC Namenonadecakis(dichloromethane);ethyl acetate
SMILESCCOC(C)=O.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
InChIInChI=1S/C4H8O2.19CH2Cl2/c1-3-6-4(2)5;19*2-1-3/h3H2,1-2H3;19*1H2
InChIKeyILTZIUYUSHKQDF-UHFFFAOYSA-N
XLogP27.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001701.83
LogP ≤ 527.58
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

(dichloromethane);ethyl acetate
CID 173005314
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 nonadecakis(dichloromethane);ethyl acetate?
The IUPAC name of nonadecakis(dichloromethane);ethyl acetate (CID 172996515) is nonadecakis(dichloromethane);ethyl acetate.
What is the SMILES notation for nonadecakis(dichloromethane);ethyl acetate?
The canonical SMILES for nonadecakis(dichloromethane);ethyl acetate is CCOC(C)=O.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.
What is the InChIKey of nonadecakis(dichloromethane);ethyl acetate?
The InChIKey is ILTZIUYUSHKQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.19CH2Cl2/c1-3-6-4(2)5;19*2-1-3/h3H2,1-2H3;19*1H2.
What are the key properties of nonadecakis(dichloromethane);ethyl acetate?
nonadecakis(dichloromethane);ethyl acetate has a molecular weight of 1701.83 g/mol, XLogP of 27.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecakis(dichloromethane);ethyl acetate is sourced from PubChem (CID 172996515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).