ethoxyethane;3-hydroxybutanoic acid

C8H18O4 — CID 86729964

IUPACethoxyethane;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.CCOCC
InChIInChI=1S/C4H8O3.C4H10O/c1-3(5)2-4(6)7;1-3-5-4-2/h3,5H,2H2,1H3,(H,6,7);3-4H2,1-2H3
InChIKeyFRTBUFSYGRPLNX-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.88
Rot. Bonds4

About ethoxyethane;3-hydroxybutanoic acid

ethoxyethane;3-hydroxybutanoic acid (PubChem CID 86729964) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is ethoxyethane;3-hydroxybutanoic acid.

Molecular Properties

Compound Nameethoxyethane;3-hydroxybutanoic acid
PubChem CID86729964
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Nameethoxyethane;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.CCOCC
InChIInChI=1S/C4H8O3.C4H10O/c1-3(5)2-4(6)7;1-3-5-4-2/h3,5H,2H2,1H3,(H,6,7);3-4H2,1-2H3
InChIKeyFRTBUFSYGRPLNX-UHFFFAOYSA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 90459779
CID 90459779
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
butanoic acid;3-hydroxybutanoic acid
CID 131984541
(3S)-4-bromo-3-hydroxybutanoic acid;ethoxyethane
CID 71627707
dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
CID 87534592
acetic acid;butane-2,3-diol;ethoxyethane
CID 174725682
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254
2,2-bis(hydroxymethyl)propane-1,3-diol;3-hydroxybutanoic acid
CID 174844775
hexanoic acid;3-hydroxybutanoic acid
CID 174511432
3-hydroxybutanoic acid;(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
CID 87100792
ethyl 3-hydroxybutanoate;hexanedioic acid
CID 175499749
3-ethoxybutanoic acid
CID 20508399

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;3-hydroxybutanoic acid?
The IUPAC name of ethoxyethane;3-hydroxybutanoic acid (CID 86729964) is ethoxyethane;3-hydroxybutanoic acid.
What is the SMILES notation for ethoxyethane;3-hydroxybutanoic acid?
The canonical SMILES for ethoxyethane;3-hydroxybutanoic acid is CC(O)CC(=O)O.CCOCC.
What is the InChIKey of ethoxyethane;3-hydroxybutanoic acid?
The InChIKey is FRTBUFSYGRPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C4H10O/c1-3(5)2-4(6)7;1-3-5-4-2/h3,5H,2H2,1H3,(H,6,7);3-4H2,1-2H3.
What are the key properties of ethoxyethane;3-hydroxybutanoic acid?
ethoxyethane;3-hydroxybutanoic acid has a molecular weight of 178.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;3-hydroxybutanoic acid is sourced from PubChem (CID 86729964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).