dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate

C10H20Cl2O5 — CID 87397368

IUPACdichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate
SMILESCCOC(=O)CCO.CCOC(C)=O.ClCCl
InChIInChI=1S/C5H10O3.C4H8O2.CH2Cl2/c1-2-8-5(7)3-4-6;1-3-6-4(2)5;2-1-3/h6H,2-4H2,1H3;3H2,1-2H3;1H2
InChIKeyVKPARWXPWUPHID-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.92
Rot. Bonds4

About dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate

dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate (PubChem CID 87397368) has the molecular formula C10H20Cl2O5 and a molecular weight of 291.17 g/mol. Its IUPAC name is dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate.

Molecular Properties

Compound Namedichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate
PubChem CID87397368
Molecular FormulaC10H20Cl2O5
Molecular Weight291.17 g/mol
Exact Mass290.07
IUPAC Namedichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate
SMILESCCOC(=O)CCO.CCOC(C)=O.ClCCl
InChIInChI=1S/C5H10O3.C4H8O2.CH2Cl2/c1-2-8-5(7)3-4-6;1-3-6-4(2)5;2-1-3/h6H,2-4H2,1H3;3H2,1-2H3;1H2
InChIKeyVKPARWXPWUPHID-UHFFFAOYSA-N
XLogP1.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dichloromethane;ethyl 3-hydroxypropanoate
CID 22030839
ethyl acetate;ethyl 3-hydroxypropanoate;hexane
CID 173066661
ethyl 3-hydroxypropanoate
CID 160663371
acetic acid;ethyl 3-hydroxypropanoate
CID 18372917
(dichloromethane);ethyl acetate
CID 173005314
nonadecakis(dichloromethane);ethyl acetate
CID 172996515
ethyl acetate;ethyl 3-hydroxypropanoate;decakis(ethyl octanoate)
CID 173095947
dichloromethane;ethane;ethyl acetate
CID 174366150
cyclohexane;ethyl 3-hydroxypropanoate
CID 66723780
ethyl 3-hydroxypropanoate;propane-1,2,3-triol
CID 161267681
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
benzene;dichloromethane;ethyl acetate
CID 160802901

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate?
The IUPAC name of dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate (CID 87397368) is dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate.
What is the SMILES notation for dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate?
The canonical SMILES for dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate is CCOC(=O)CCO.CCOC(C)=O.ClCCl.
What is the InChIKey of dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate?
The InChIKey is VKPARWXPWUPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H8O2.CH2Cl2/c1-2-8-5(7)3-4-6;1-3-6-4(2)5;2-1-3/h6H,2-4H2,1H3;3H2,1-2H3;1H2.
What are the key properties of dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate?
dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate has a molecular weight of 291.17 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate is sourced from PubChem (CID 87397368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).