5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid

C9H16O5 — CID 175090544

IUPAC5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid
SMILESO=C(O)C=CCCOCCOCCO
InChIInChI=1S/C9H16O5/c10-4-6-14-8-7-13-5-2-1-3-9(11)12/h1,3,10H,2,4-8H2,(H,11,12)
InChIKeyRGLOWGQRWUMUBA-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.04
Rot. Bonds9

About 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid

5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid (PubChem CID 175090544) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid
PubChem CID175090544
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid
SMILESO=C(O)C=CCCOCCOCCO
InChIInChI=1S/C9H16O5/c10-4-6-14-8-7-13-5-2-1-3-9(11)12/h1,3,10H,2,4-8H2,(H,11,12)
InChIKeyRGLOWGQRWUMUBA-UHFFFAOYSA-N
XLogP0.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol
CID 88505451
5-aminooxypent-2-enoic acid
CID 57274484
(Z)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 88739197
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
but-2-enedioic acid;1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 163538655
5-ethenoxypent-2-enoic acid
CID 173182638
(E)-5-acetyloxypent-2-enoic acid
CID 19026157
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid?
The IUPAC name of 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid (CID 175090544) is 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid is O=C(O)C=CCCOCCOCCO.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid?
The InChIKey is RGLOWGQRWUMUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c10-4-6-14-8-7-13-5-2-1-3-9(11)12/h1,3,10H,2,4-8H2,(H,11,12).
What are the key properties of 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid?
5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid has a molecular weight of 204.22 g/mol, XLogP of 0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid is sourced from PubChem (CID 175090544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).