2-ethoxyacetic acid;2-ethylhex-2-enoic acid

C12H22O5 — CID 173257029

IUPAC2-ethoxyacetic acid;2-ethylhex-2-enoic acid
SMILESCCCC=C(CC)C(=O)O.CCOCC(=O)O
InChIInChI=1S/C8H14O2.C4H8O3/c1-3-5-6-7(4-2)8(9)10;1-2-7-3-4(5)6/h6H,3-5H2,1-2H3,(H,9,10);2-3H2,1H3,(H,5,6)
InChIKeyWBZUUIWNRNZNOE-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.32
Rot. Bonds7

About 2-ethoxyacetic acid;2-ethylhex-2-enoic acid

2-ethoxyacetic acid;2-ethylhex-2-enoic acid (PubChem CID 173257029) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-ethoxyacetic acid;2-ethylhex-2-enoic acid.

Molecular Properties

Compound Name2-ethoxyacetic acid;2-ethylhex-2-enoic acid
PubChem CID173257029
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-ethoxyacetic acid;2-ethylhex-2-enoic acid
SMILESCCCC=C(CC)C(=O)O.CCOCC(=O)O
InChIInChI=1S/C8H14O2.C4H8O3/c1-3-5-6-7(4-2)8(9)10;1-2-7-3-4(5)6/h6H,3-5H2,1-2H3,(H,9,10);2-3H2,1H3,(H,5,6)
InChIKeyWBZUUIWNRNZNOE-UHFFFAOYSA-N
XLogP2.32
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxyacetyl) 2-ethylhex-2-enoate
CID 173257030
2-ethoxyacetic acid;non-4-ene
CID 175736299
2-ethoxyacetic acid
CID 159744705
carbonic acid;2-ethoxyacetic acid
CID 174869478
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
dichloromethane;2-ethoxyacetic acid
CID 87359195
(2E)-2-ethyl-7-methylocta-2,6-dienoic acid
CID 88643510
5-bromo-2-ethylpent-2-enoic acid
CID 173418213
5-amino-2-ethylpent-2-enoic acid
CID 91086939
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
(E)-2-ethylhex-2-enamide
CID 87982228
3-[2-(carboxymethyl)hex-2-enoyloxycarbonyloxycarbonyl]hept-3-enoic acid
CID 173039953

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyacetic acid;2-ethylhex-2-enoic acid?
The IUPAC name of 2-ethoxyacetic acid;2-ethylhex-2-enoic acid (CID 173257029) is 2-ethoxyacetic acid;2-ethylhex-2-enoic acid.
What is the SMILES notation for 2-ethoxyacetic acid;2-ethylhex-2-enoic acid?
The canonical SMILES for 2-ethoxyacetic acid;2-ethylhex-2-enoic acid is CCCC=C(CC)C(=O)O.CCOCC(=O)O.
What is the InChIKey of 2-ethoxyacetic acid;2-ethylhex-2-enoic acid?
The InChIKey is WBZUUIWNRNZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C4H8O3/c1-3-5-6-7(4-2)8(9)10;1-2-7-3-4(5)6/h6H,3-5H2,1-2H3,(H,9,10);2-3H2,1H3,(H,5,6).
What are the key properties of 2-ethoxyacetic acid;2-ethylhex-2-enoic acid?
2-ethoxyacetic acid;2-ethylhex-2-enoic acid has a molecular weight of 246.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyacetic acid;2-ethylhex-2-enoic acid is sourced from PubChem (CID 173257029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).