2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol

C8H18O4 — CID 53446921

IUPAC2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol
SMILESCOCC(C)OC(C)OCCO
InChIInChI=1S/C8H18O4/c1-7(6-10-3)12-8(2)11-5-4-9/h7-9H,4-6H2,1-3H3
InChIKeyTVQKRMYHZJMBIF-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.39
Rot. Bonds7

About 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol

2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol (PubChem CID 53446921) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol
PubChem CID53446921
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol
SMILESCOCC(C)OC(C)OCCO
InChIInChI=1S/C8H18O4/c1-7(6-10-3)12-8(2)11-5-4-9/h7-9H,4-6H2,1-3H3
InChIKeyTVQKRMYHZJMBIF-UHFFFAOYSA-N
XLogP0.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol?
The IUPAC name of 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol (CID 53446921) is 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol.
What is the SMILES notation for 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol?
The canonical SMILES for 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol is COCC(C)OC(C)OCCO.
What is the InChIKey of 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol?
The InChIKey is TVQKRMYHZJMBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-7(6-10-3)12-8(2)11-5-4-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol?
2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol has a molecular weight of 178.23 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxypropan-2-yloxy)ethoxy]ethanol is sourced from PubChem (CID 53446921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).