2-ethoxyacetic acid;2-ethoxyethyl acetate

C10H20O6 — CID 175733176

IUPAC2-ethoxyacetic acid;2-ethoxyethyl acetate
SMILESCCOCC(=O)O.CCOCCOC(C)=O
InChIInChI=1S/C6H12O3.C4H8O3/c1-3-8-4-5-9-6(2)7;1-2-7-3-4(5)6/h3-5H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyWXRPCDGJEVZDKT-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.69
Rot. Bonds7

About 2-ethoxyacetic acid;2-ethoxyethyl acetate

2-ethoxyacetic acid;2-ethoxyethyl acetate (PubChem CID 175733176) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-ethoxyacetic acid;2-ethoxyethyl acetate.

Molecular Properties

Compound Name2-ethoxyacetic acid;2-ethoxyethyl acetate
PubChem CID175733176
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-ethoxyacetic acid;2-ethoxyethyl acetate
SMILESCCOCC(=O)O.CCOCCOC(C)=O
InChIInChI=1S/C6H12O3.C4H8O3/c1-3-8-4-5-9-6(2)7;1-2-7-3-4(5)6/h3-5H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyWXRPCDGJEVZDKT-UHFFFAOYSA-N
XLogP0.69
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyacetic acid
CID 159744705
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
carbonic acid;2-ethoxyacetic acid
CID 174869478
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
3-ethoxypropyl acetate
CID 14847874
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
dichloromethane;2-ethoxyacetic acid
CID 87359195
ethenyl acetate;2-[2-(2-ethoxyethoxy)ethoxy]acetic acid
CID 174540877
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
6-ethoxyhexyl acetate
CID 123617931
2-(2-propanoyloxyethoxy)acetic acid
CID 171607283

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyacetic acid;2-ethoxyethyl acetate?
The IUPAC name of 2-ethoxyacetic acid;2-ethoxyethyl acetate (CID 175733176) is 2-ethoxyacetic acid;2-ethoxyethyl acetate.
What is the SMILES notation for 2-ethoxyacetic acid;2-ethoxyethyl acetate?
The canonical SMILES for 2-ethoxyacetic acid;2-ethoxyethyl acetate is CCOCC(=O)O.CCOCCOC(C)=O.
What is the InChIKey of 2-ethoxyacetic acid;2-ethoxyethyl acetate?
The InChIKey is WXRPCDGJEVZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C4H8O3/c1-3-8-4-5-9-6(2)7;1-2-7-3-4(5)6/h3-5H2,1-2H3;2-3H2,1H3,(H,5,6).
What are the key properties of 2-ethoxyacetic acid;2-ethoxyethyl acetate?
2-ethoxyacetic acid;2-ethoxyethyl acetate has a molecular weight of 236.26 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyacetic acid;2-ethoxyethyl acetate is sourced from PubChem (CID 175733176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).