methyl propanoate

C4H8O2 — CID 11124

IUPACmethyl propanoate
SMILESCCC(=O)OC
InChIInChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
InChIKeyRJUFJBKOKNCXHH-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.57
Rot. Bonds1

About methyl propanoate

methyl propanoate (PubChem CID 11124) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is methyl propanoate.

Molecular Properties

Compound Namemethyl propanoate
PubChem CID11124
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Namemethyl propanoate
SMILESCCC(=O)OC
InChIInChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
InChIKeyRJUFJBKOKNCXHH-UHFFFAOYSA-N
XLogP0.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl propanoate?
The IUPAC name of methyl propanoate (CID 11124) is methyl propanoate.
What is the SMILES notation for methyl propanoate?
The canonical SMILES for methyl propanoate is CCC(=O)OC.
What is the InChIKey of methyl propanoate?
The InChIKey is RJUFJBKOKNCXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3.
What are the key properties of methyl propanoate?
methyl propanoate has a molecular weight of 88.11 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propanoate is sourced from PubChem (CID 11124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).