bis(2-[(2-methylphenoxy)methyl]oxirane);propane

C26H40O4 — CID 91036467

IUPACbis(2-[(2-methylphenoxy)methyl]oxirane);propane
SMILESCCC.CCC.Cc1ccccc1OCC1CO1.Cc1ccccc1OCC1CO1
InChIInChI=1S/2C10H12O2.2C3H8/c2*1-8-4-2-3-5-10(8)12-7-9-6-11-9;2*1-3-2/h2*2-5,9H,6-7H2,1H3;2*3H2,1-2H3
InChIKeyLAVOKMKQRIILOE-UHFFFAOYSA-N
MW416.60 g/mol
LogP6.38
Rot. Bonds6

About bis(2-[(2-methylphenoxy)methyl]oxirane);propane

bis(2-[(2-methylphenoxy)methyl]oxirane);propane (PubChem CID 91036467) has the molecular formula C26H40O4 and a molecular weight of 416.60 g/mol. Its IUPAC name is bis(2-[(2-methylphenoxy)methyl]oxirane);propane.

Molecular Properties

Compound Namebis(2-[(2-methylphenoxy)methyl]oxirane);propane
PubChem CID91036467
Molecular FormulaC26H40O4
Molecular Weight416.60 g/mol
Exact Mass416.29
IUPAC Namebis(2-[(2-methylphenoxy)methyl]oxirane);propane
SMILESCCC.CCC.Cc1ccccc1OCC1CO1.Cc1ccccc1OCC1CO1
InChIInChI=1S/2C10H12O2.2C3H8/c2*1-8-4-2-3-5-10(8)12-7-9-6-11-9;2*1-3-2/h2*2-5,9H,6-7H2,1H3;2*3H2,1-2H3
InChIKeyLAVOKMKQRIILOE-UHFFFAOYSA-N
XLogP6.38
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis(2-[(2-methylphenoxy)methyl]oxirane);propane 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-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
ethane;methane;tris(2-[(2-methylphenoxy)methyl]oxirane);bis(tricyclo[5.2.1.02,6]decane)
CID 162242646
2-[(2-methylphenyl)peroxymethyl]oxirane
CID 23529975
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 23044383
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212

Frequently Asked Questions

What is the IUPAC name of bis(2-[(2-methylphenoxy)methyl]oxirane);propane?
The IUPAC name of bis(2-[(2-methylphenoxy)methyl]oxirane);propane (CID 91036467) is bis(2-[(2-methylphenoxy)methyl]oxirane);propane.
What is the SMILES notation for bis(2-[(2-methylphenoxy)methyl]oxirane);propane?
The canonical SMILES for bis(2-[(2-methylphenoxy)methyl]oxirane);propane is CCC.CCC.Cc1ccccc1OCC1CO1.Cc1ccccc1OCC1CO1.
What is the InChIKey of bis(2-[(2-methylphenoxy)methyl]oxirane);propane?
The InChIKey is LAVOKMKQRIILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12O2.2C3H8/c2*1-8-4-2-3-5-10(8)12-7-9-6-11-9;2*1-3-2/h2*2-5,9H,6-7H2,1H3;2*3H2,1-2H3.
What are the key properties of bis(2-[(2-methylphenoxy)methyl]oxirane);propane?
bis(2-[(2-methylphenoxy)methyl]oxirane);propane has a molecular weight of 416.60 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(2-methylphenoxy)methyl]oxirane);propane is sourced from PubChem (CID 91036467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).