ethyl 3-(2-hydroxyethoxy)propanoate

C7H14O4 — CID 22394031

IUPACethyl 3-(2-hydroxyethoxy)propanoate
SMILESCCOC(=O)CCOCCO
InChIInChI=1S/C7H14O4/c1-2-11-7(9)3-5-10-6-4-8/h8H,2-6H2,1H3
InChIKeyCOJOLBBVWSYDKN-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.05
Rot. Bonds6

About ethyl 3-(2-hydroxyethoxy)propanoate

ethyl 3-(2-hydroxyethoxy)propanoate (PubChem CID 22394031) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is ethyl 3-(2-hydroxyethoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxyethoxy)propanoate
PubChem CID22394031
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Nameethyl 3-(2-hydroxyethoxy)propanoate
SMILESCCOC(=O)CCOCCO
InChIInChI=1S/C7H14O4/c1-2-11-7(9)3-5-10-6-4-8/h8H,2-6H2,1H3
InChIKeyCOJOLBBVWSYDKN-UHFFFAOYSA-N
XLogP-0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl pentanedioate;2-ethoxyethanol
CID 174867931
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate
CID 23243813
ethyl 3-hydroxypropanoate
CID 160663371
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
ethyl 3-but-3-enoxypropanoate
CID 43174166
butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
CID 88656845
ethyl 3-[2-amino-2,3-bis(3-ethoxy-3-oxopropoxy)propoxy]propanoate
CID 101074455
ethyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;ethyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methane
CID 161148650
ethyl 3-pent-4-enoxypropanoate
CID 79113239
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
CID 88876740

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxyethoxy)propanoate?
The IUPAC name of ethyl 3-(2-hydroxyethoxy)propanoate (CID 22394031) is ethyl 3-(2-hydroxyethoxy)propanoate.
What is the SMILES notation for ethyl 3-(2-hydroxyethoxy)propanoate?
The canonical SMILES for ethyl 3-(2-hydroxyethoxy)propanoate is CCOC(=O)CCOCCO.
What is the InChIKey of ethyl 3-(2-hydroxyethoxy)propanoate?
The InChIKey is COJOLBBVWSYDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-11-7(9)3-5-10-6-4-8/h8H,2-6H2,1H3.
What are the key properties of ethyl 3-(2-hydroxyethoxy)propanoate?
ethyl 3-(2-hydroxyethoxy)propanoate has a molecular weight of 162.18 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxyethoxy)propanoate is sourced from PubChem (CID 22394031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).