ethane-1,2-diol;2-ethoxypropanoic acid

C7H16O5 — CID 87566881

IUPACethane-1,2-diol;2-ethoxypropanoic acid
SMILESCCOC(C)C(=O)O.OCCO
InChIInChI=1S/C5H10O3.C2H6O2/c1-3-8-4(2)5(6)7;3-1-2-4/h4H,3H2,1-2H3,(H,6,7);3-4H,1-2H2
InChIKeyRFDNCBIESRVGJM-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.53
Rot. Bonds4

About ethane-1,2-diol;2-ethoxypropanoic acid

ethane-1,2-diol;2-ethoxypropanoic acid (PubChem CID 87566881) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is ethane-1,2-diol;2-ethoxypropanoic acid.

Molecular Properties

Compound Nameethane-1,2-diol;2-ethoxypropanoic acid
PubChem CID87566881
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Nameethane-1,2-diol;2-ethoxypropanoic acid
SMILESCCOC(C)C(=O)O.OCCO
InChIInChI=1S/C5H10O3.C2H6O2/c1-3-8-4(2)5(6)7;3-1-2-4/h4H,3H2,1-2H3,(H,6,7);3-4H,1-2H2
InChIKeyRFDNCBIESRVGJM-UHFFFAOYSA-N
XLogP-0.53
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxypropanoic acid;methane
CID 160636954
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
2-(2-fluoroethoxy)propanoic acid
CID 84648269
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
(2S)-2-(2-ethylbutoxy)propanoic acid
CID 104876124
carbonic acid;1,1-diethoxyethane
CID 87827362
amino 2-ethoxypropanoate
CID 87914402
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
sodium 2-ethoxypropanoate
CID 141029681

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-ethoxypropanoic acid?
The IUPAC name of ethane-1,2-diol;2-ethoxypropanoic acid (CID 87566881) is ethane-1,2-diol;2-ethoxypropanoic acid.
What is the SMILES notation for ethane-1,2-diol;2-ethoxypropanoic acid?
The canonical SMILES for ethane-1,2-diol;2-ethoxypropanoic acid is CCOC(C)C(=O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;2-ethoxypropanoic acid?
The InChIKey is RFDNCBIESRVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C2H6O2/c1-3-8-4(2)5(6)7;3-1-2-4/h4H,3H2,1-2H3,(H,6,7);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-ethoxypropanoic acid?
ethane-1,2-diol;2-ethoxypropanoic acid has a molecular weight of 180.20 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-ethoxypropanoic acid is sourced from PubChem (CID 87566881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).