methyl propanoate;dihydrochloride

C4H10Cl2O2 — CID 140968159

IUPACmethyl propanoate;dihydrochloride
SMILESCCC(=O)OC.Cl.Cl
InChIInChI=1S/C4H8O2.2ClH/c1-3-4(5)6-2;;/h3H2,1-2H3;2*1H
InChIKeyUWPISLQLJRDZOS-UHFFFAOYSA-N
MW161.03 g/mol
LogP1.41
Rot. Bonds1

About methyl propanoate;dihydrochloride

methyl propanoate;dihydrochloride (PubChem CID 140968159) has the molecular formula C4H10Cl2O2 and a molecular weight of 161.03 g/mol. Its IUPAC name is methyl propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl propanoate;dihydrochloride
PubChem CID140968159
Molecular FormulaC4H10Cl2O2
Molecular Weight161.03 g/mol
Exact Mass160.01
IUPAC Namemethyl propanoate;dihydrochloride
SMILESCCC(=O)OC.Cl.Cl
InChIInChI=1S/C4H8O2.2ClH/c1-3-4(5)6-2;;/h3H2,1-2H3;2*1H
InChIKeyUWPISLQLJRDZOS-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.03
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl propanoate;dihydrochloride?
The IUPAC name of methyl propanoate;dihydrochloride (CID 140968159) is methyl propanoate;dihydrochloride.
What is the SMILES notation for methyl propanoate;dihydrochloride?
The canonical SMILES for methyl propanoate;dihydrochloride is CCC(=O)OC.Cl.Cl.
What is the InChIKey of methyl propanoate;dihydrochloride?
The InChIKey is UWPISLQLJRDZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2ClH/c1-3-4(5)6-2;;/h3H2,1-2H3;2*1H.
What are the key properties of methyl propanoate;dihydrochloride?
methyl propanoate;dihydrochloride has a molecular weight of 161.03 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propanoate;dihydrochloride is sourced from PubChem (CID 140968159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).