2-ethoxy-1,4-dimethoxybutane

C8H18O3 — CID 87963215

IUPAC2-ethoxy-1,4-dimethoxybutane
SMILESCCOC(CCOC)COC
InChIInChI=1S/C8H18O3/c1-4-11-8(7-10-3)5-6-9-2/h8H,4-7H2,1-3H3
InChIKeyNTKHMCGTLMMBIP-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.07
Rot. Bonds7

About 2-ethoxy-1,4-dimethoxybutane

2-ethoxy-1,4-dimethoxybutane (PubChem CID 87963215) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-ethoxy-1,4-dimethoxybutane.

Molecular Properties

Compound Name2-ethoxy-1,4-dimethoxybutane
PubChem CID87963215
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-ethoxy-1,4-dimethoxybutane
SMILESCCOC(CCOC)COC
InChIInChI=1S/C8H18O3/c1-4-11-8(7-10-3)5-6-9-2/h8H,4-7H2,1-3H3
InChIKeyNTKHMCGTLMMBIP-UHFFFAOYSA-N
XLogP1.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-1,4-dimethoxybutane 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

3-ethoxy-1,5-dimethoxypentane
CID 20810650
2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine
CID 104560310
5-methoxy-3-(methoxymethoxy)pentan-1-ol
CID 146175623
(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate
CID 59083652
N-(2-ethoxy-3-methoxypropyl)-2-methylpropan-2-amine
CID 103227770
[4-methoxy-2-(2-methoxyethoxy)butyl] hydrogen carbonate
CID 87840874
2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine
CID 19833551
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 87736980
1,2,5,6-tetramethoxyhexane
CID 18679814
1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane
CID 58765891
1,2-dimethoxypentane
CID 22961171
1-ethoxy-1-fluoro-2-methoxyethane
CID 177367810

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,4-dimethoxybutane?
The IUPAC name of 2-ethoxy-1,4-dimethoxybutane (CID 87963215) is 2-ethoxy-1,4-dimethoxybutane.
What is the SMILES notation for 2-ethoxy-1,4-dimethoxybutane?
The canonical SMILES for 2-ethoxy-1,4-dimethoxybutane is CCOC(CCOC)COC.
What is the InChIKey of 2-ethoxy-1,4-dimethoxybutane?
The InChIKey is NTKHMCGTLMMBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-4-11-8(7-10-3)5-6-9-2/h8H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-1,4-dimethoxybutane?
2-ethoxy-1,4-dimethoxybutane has a molecular weight of 162.23 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,4-dimethoxybutane is sourced from PubChem (CID 87963215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).