dichloromethane;2-methylpropanoic acid

C5H10Cl2O2 — CID 161358956

IUPACdichloromethane;2-methylpropanoic acid
SMILESCC(C)C(=O)O.ClCCl
InChIInChI=1S/C4H8O2.CH2Cl2/c1-3(2)4(5)6;2-1-3/h3H,1-2H3,(H,5,6);1H2
InChIKeyVOXMWFIEESADDO-UHFFFAOYSA-N
MW173.04 g/mol
LogP2.15
Rot. Bonds1

About dichloromethane;2-methylpropanoic acid

dichloromethane;2-methylpropanoic acid (PubChem CID 161358956) has the molecular formula C5H10Cl2O2 and a molecular weight of 173.04 g/mol. Its IUPAC name is dichloromethane;2-methylpropanoic acid.

Molecular Properties

Compound Namedichloromethane;2-methylpropanoic acid
PubChem CID161358956
Molecular FormulaC5H10Cl2O2
Molecular Weight173.04 g/mol
Exact Mass172.01
IUPAC Namedichloromethane;2-methylpropanoic acid
SMILESCC(C)C(=O)O.ClCCl
InChIInChI=1S/C4H8O2.CH2Cl2/c1-3(2)4(5)6;2-1-3/h3H,1-2H3,(H,5,6);1H2
InChIKeyVOXMWFIEESADDO-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
chloromethyl 2-methylpropanoate;2-methylpropanoic acid
CID 158352100
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
bis(2-methylpropanoic acid);propane-1,3-diol
CID 174945729
2-methylpropanoic acid;propanoic acid;zirconium
CID 175540566
2-methylpropanoic acid;sulfuric acid
CID 160710390

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-methylpropanoic acid?
The IUPAC name of dichloromethane;2-methylpropanoic acid (CID 161358956) is dichloromethane;2-methylpropanoic acid.
What is the SMILES notation for dichloromethane;2-methylpropanoic acid?
The canonical SMILES for dichloromethane;2-methylpropanoic acid is CC(C)C(=O)O.ClCCl.
What is the InChIKey of dichloromethane;2-methylpropanoic acid?
The InChIKey is VOXMWFIEESADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH2Cl2/c1-3(2)4(5)6;2-1-3/h3H,1-2H3,(H,5,6);1H2.
What are the key properties of dichloromethane;2-methylpropanoic acid?
dichloromethane;2-methylpropanoic acid has a molecular weight of 173.04 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2-methylpropanoic acid is sourced from PubChem (CID 161358956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).