dichloromethane;ethyl 3-hydroxypropanoate

C6H12Cl2O3 — CID 22030839

IUPACdichloromethane;ethyl 3-hydroxypropanoate
SMILESCCOC(=O)CCO.ClCCl
InChIInChI=1S/C5H10O3.CH2Cl2/c1-2-8-5(7)3-4-6;2-1-3/h6H,2-4H2,1H3;1H2
InChIKeyRDTLTQDDBRBCMU-UHFFFAOYSA-N
MW203.06 g/mol
LogP1.35
Rot. Bonds3

About dichloromethane;ethyl 3-hydroxypropanoate

dichloromethane;ethyl 3-hydroxypropanoate (PubChem CID 22030839) has the molecular formula C6H12Cl2O3 and a molecular weight of 203.06 g/mol. Its IUPAC name is dichloromethane;ethyl 3-hydroxypropanoate.

Molecular Properties

Compound Namedichloromethane;ethyl 3-hydroxypropanoate
PubChem CID22030839
Molecular FormulaC6H12Cl2O3
Molecular Weight203.06 g/mol
Exact Mass202.02
IUPAC Namedichloromethane;ethyl 3-hydroxypropanoate
SMILESCCOC(=O)CCO.ClCCl
InChIInChI=1S/C5H10O3.CH2Cl2/c1-2-8-5(7)3-4-6;2-1-3/h6H,2-4H2,1H3;1H2
InChIKeyRDTLTQDDBRBCMU-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.06
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxypropanoate
CID 160663371
dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate
CID 87397368
acetic acid;ethyl 3-hydroxypropanoate
CID 18372917
cyclohexane;ethyl 3-hydroxypropanoate
CID 66723780
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
ethyl 3-hydroxypropanoate;heptane
CID 18415145
acetonitrile;ethyl 3-hydroxypropanoate
CID 22990060
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
ethyl 3-hydroxypropanoate;propane-1,2,3-triol
CID 161267681
ethyl acetate;ethyl 3-hydroxypropanoate;hexane
CID 173066661
CID 136749907
CID 136749907
dichloromethane;ethyl nonanoate;methanol
CID 87514149

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethyl 3-hydroxypropanoate?
The IUPAC name of dichloromethane;ethyl 3-hydroxypropanoate (CID 22030839) is dichloromethane;ethyl 3-hydroxypropanoate.
What is the SMILES notation for dichloromethane;ethyl 3-hydroxypropanoate?
The canonical SMILES for dichloromethane;ethyl 3-hydroxypropanoate is CCOC(=O)CCO.ClCCl.
What is the InChIKey of dichloromethane;ethyl 3-hydroxypropanoate?
The InChIKey is RDTLTQDDBRBCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.CH2Cl2/c1-2-8-5(7)3-4-6;2-1-3/h6H,2-4H2,1H3;1H2.
What are the key properties of dichloromethane;ethyl 3-hydroxypropanoate?
dichloromethane;ethyl 3-hydroxypropanoate has a molecular weight of 203.06 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethyl 3-hydroxypropanoate is sourced from PubChem (CID 22030839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).