2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane

C11H20O4 — CID 88797700

IUPAC2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane
SMILESCC(COCC1(C)CO1)OCC1(C)CO1
InChIInChI=1S/C11H20O4/c1-9(13-6-11(3)8-15-11)4-12-5-10(2)7-14-10/h9H,4-8H2,1-3H3
InChIKeyWNSDRNXTCGMFDO-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.99
Rot. Bonds7

About 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane

2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane (PubChem CID 88797700) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane
PubChem CID88797700
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane
SMILESCC(COCC1(C)CO1)OCC1(C)CO1
InChIInChI=1S/C11H20O4/c1-9(13-6-11(3)8-15-11)4-12-5-10(2)7-14-10/h9H,4-8H2,1-3H3
InChIKeyWNSDRNXTCGMFDO-UHFFFAOYSA-N
XLogP0.99
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane 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-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane?
The IUPAC name of 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane (CID 88797700) is 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane?
The canonical SMILES for 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane is CC(COCC1(C)CO1)OCC1(C)CO1.
What is the InChIKey of 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane?
The InChIKey is WNSDRNXTCGMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(13-6-11(3)8-15-11)4-12-5-10(2)7-14-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane?
2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane has a molecular weight of 216.28 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane is sourced from PubChem (CID 88797700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).