2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid

C10H18O5 — CID 86708289

IUPAC2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid
SMILESC=CCOCCOCCOC(C)C(=O)O
InChIInChI=1S/C10H18O5/c1-3-4-13-5-6-14-7-8-15-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)
InChIKeyCCFKFARVUOKWIF-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.70
Rot. Bonds10

About 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid

2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid (PubChem CID 86708289) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid
PubChem CID86708289
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid
SMILESC=CCOCCOCCOC(C)C(=O)O
InChIInChI=1S/C10H18O5/c1-3-4-13-5-6-14-7-8-15-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)
InChIKeyCCFKFARVUOKWIF-UHFFFAOYSA-N
XLogP0.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxypropanoic acid
CID 43128770
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid
CID 172703479
(2R)-2-hept-6-enoxypropanoic acid
CID 107005963
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-(2-fluoroethoxy)propanoic acid
CID 84648269
tert-butyl 2-[2-[2-[(2S)-3-oxobutan-2-yl]oxyethoxy]ethoxy]acetate;(2S)-2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]propanoic acid
CID 158809556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid?
The IUPAC name of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid (CID 86708289) is 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid?
The canonical SMILES for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid is C=CCOCCOCCOC(C)C(=O)O.
What is the InChIKey of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid?
The InChIKey is CCFKFARVUOKWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-4-13-5-6-14-7-8-15-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12).
What are the key properties of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid?
2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 86708289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).