2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane

C8H14O2 — CID 176604213

IUPAC2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane
SMILESCC(C)=COCC1(C)CO1
InChIInChI=1S/C8H14O2/c1-7(2)4-9-5-8(3)6-10-8/h4H,5-6H2,1-3H3
InChIKeyCKXCRRRKPMYXOL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane

2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane (PubChem CID 176604213) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane
PubChem CID176604213
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane
SMILESCC(C)=COCC1(C)CO1
InChIInChI=1S/C8H14O2/c1-7(2)4-9-5-8(3)6-10-8/h4H,5-6H2,1-3H3
InChIKeyCKXCRRRKPMYXOL-UHFFFAOYSA-N
XLogP1.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane 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-Methylprop-1-enoxymethyl)oxirane
CID 23043125
1-[2,3-Bis(2-methylprop-1-enoxy)propoxy]-2-methylprop-1-ene
CID 87659581
2-Methyl-2-(prop-1-enoxymethyl)oxirane
CID 118661347
2-Methyl-2-(prop-1-en-2-yloxymethyl)oxirane
CID 122683288
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 176603567
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxirane
CID 176603818
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 176603839
2-[1-(2-Methylprop-1-enoxy)ethyl]oxirane
CID 176604373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane (CID 176604213) is 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane is CC(C)=COCC1(C)CO1.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane?
The InChIKey is CKXCRRRKPMYXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)4-9-5-8(3)6-10-8/h4H,5-6H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane?
2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-1-enoxymethyl)oxirane is sourced from PubChem (CID 176604213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).