2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane

C26H42O9 — CID 25199391

IUPAC2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
SMILESC#CCOCCOCCOCC(C)(COCCOCCOCC#C)COCCOCCOCC#C
InChIInChI=1S/C26H42O9/c1-5-8-27-11-14-30-17-20-33-23-26(4,24-34-21-18-31-15-12-28-9-6-2)25-35-22-19-32-16-13-29-10-7-3/h1-3H,8-25H2,4H3
InChIKeyLFLGIFBBLQIQGG-UHFFFAOYSA-N
MW498.61 g/mol
LogP1.04
Rot. Bonds27

About 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane

2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane (PubChem CID 25199391) has the molecular formula C26H42O9 and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane.

Molecular Properties

Compound Name2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
PubChem CID25199391
Molecular FormulaC26H42O9
Molecular Weight498.61 g/mol
Exact Mass498.28
IUPAC Name2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
SMILESC#CCOCCOCCOCC(C)(COCCOCCOCC#C)COCCOCCOCC#C
InChIInChI=1S/C26H42O9/c1-5-8-27-11-14-30-17-20-33-23-26(4,24-34-21-18-31-15-12-28-9-6-2)25-35-22-19-32-16-13-29-10-7-3/h1-3H,8-25H2,4H3
InChIKeyLFLGIFBBLQIQGG-UHFFFAOYSA-N
XLogP1.04
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane 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-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane?
The IUPAC name of 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane (CID 25199391) is 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane.
What is the SMILES notation for 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane?
The canonical SMILES for 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane is C#CCOCCOCCOCC(C)(COCCOCCOCC#C)COCCOCCOCC#C.
What is the InChIKey of 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane?
The InChIKey is LFLGIFBBLQIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O9/c1-5-8-27-11-14-30-17-20-33-23-26(4,24-34-21-18-31-15-12-28-9-6-2)25-35-22-19-32-16-13-29-10-7-3/h1-3H,8-25H2,4H3.
What are the key properties of 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane?
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane has a molecular weight of 498.61 g/mol, XLogP of 1.04, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane is sourced from PubChem (CID 25199391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).