1-(2-methoxyethoxy)butane-2,3-diol

C7H16O4 — CID 87403280

IUPAC1-(2-methoxyethoxy)butane-2,3-diol
SMILESCOCCOCC(O)C(C)O
InChIInChI=1S/C7H16O4/c1-6(8)7(9)5-11-4-3-10-2/h6-9H,3-5H2,1-2H3
InChIKeyRJNURHUXUGHBNM-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.61
Rot. Bonds6

About 1-(2-methoxyethoxy)butane-2,3-diol

1-(2-methoxyethoxy)butane-2,3-diol (PubChem CID 87403280) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)butane-2,3-diol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)butane-2,3-diol
PubChem CID87403280
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name1-(2-methoxyethoxy)butane-2,3-diol
SMILESCOCCOCC(O)C(C)O
InChIInChI=1S/C7H16O4/c1-6(8)7(9)5-11-4-3-10-2/h6-9H,3-5H2,1-2H3
InChIKeyRJNURHUXUGHBNM-UHFFFAOYSA-N
XLogP-0.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethoxy)butane-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-(3,3,4,4,5,5,5-heptafluoropentoxy)butane-2,3-diol
CID 175008468
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)butane-2,3-diol?
The IUPAC name of 1-(2-methoxyethoxy)butane-2,3-diol (CID 87403280) is 1-(2-methoxyethoxy)butane-2,3-diol.
What is the SMILES notation for 1-(2-methoxyethoxy)butane-2,3-diol?
The canonical SMILES for 1-(2-methoxyethoxy)butane-2,3-diol is COCCOCC(O)C(C)O.
What is the InChIKey of 1-(2-methoxyethoxy)butane-2,3-diol?
The InChIKey is RJNURHUXUGHBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-6(8)7(9)5-11-4-3-10-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)butane-2,3-diol?
1-(2-methoxyethoxy)butane-2,3-diol has a molecular weight of 164.20 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)butane-2,3-diol is sourced from PubChem (CID 87403280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).