2-hydroxyethyl propanoate;propanoic acid

C8H16O5 — CID 175568032

IUPAC2-hydroxyethyl propanoate;propanoic acid
SMILESCCC(=O)O.CCC(=O)OCCO
InChIInChI=1S/C5H10O3.C3H6O2/c1-2-5(7)8-4-3-6;1-2-3(4)5/h6H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyKPGZPVKHRBODAE-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.41
Rot. Bonds4

About 2-hydroxyethyl propanoate;propanoic acid

2-hydroxyethyl propanoate;propanoic acid (PubChem CID 175568032) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-hydroxyethyl propanoate;propanoic acid.

Molecular Properties

Compound Name2-hydroxyethyl propanoate;propanoic acid
PubChem CID175568032
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name2-hydroxyethyl propanoate;propanoic acid
SMILESCCC(=O)O.CCC(=O)OCCO
InChIInChI=1S/C5H10O3.C3H6O2/c1-2-5(7)8-4-3-6;1-2-3(4)5/h6H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyKPGZPVKHRBODAE-UHFFFAOYSA-N
XLogP0.41
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid
CID 157337813
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402
2-hydroxyethyl propanoate;pentan-1-ol
CID 174862419
octyl propanoate;propanoic acid
CID 87090257
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
9-hydroxynonyl propanoate
CID 90020173
azane;dodecyl propanoate;propanoic acid
CID 87327250
butyl propanoate;2-(2-hydroxyethoxy)ethanol
CID 157321164
2-ethoxyethanol;propanoic acid
CID 71354268
2-(2-propanoyloxyethoxy)acetic acid
CID 171607283
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl propanoate;propanoic acid?
The IUPAC name of 2-hydroxyethyl propanoate;propanoic acid (CID 175568032) is 2-hydroxyethyl propanoate;propanoic acid.
What is the SMILES notation for 2-hydroxyethyl propanoate;propanoic acid?
The canonical SMILES for 2-hydroxyethyl propanoate;propanoic acid is CCC(=O)O.CCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl propanoate;propanoic acid?
The InChIKey is KPGZPVKHRBODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H6O2/c1-2-5(7)8-4-3-6;1-2-3(4)5/h6H,2-4H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 2-hydroxyethyl propanoate;propanoic acid?
2-hydroxyethyl propanoate;propanoic acid has a molecular weight of 192.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl propanoate;propanoic acid is sourced from PubChem (CID 175568032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).