2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane

C8H14O3 — CID 24075

IUPAC2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane
SMILESCC1(COCC2(C)CO2)CO1
InChIInChI=1S/C8H14O3/c1-7(5-10-7)3-9-4-8(2)6-11-8/h3-6H2,1-2H3
InChIKeyFPFZKFZYQYTAHO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.58
Rot. Bonds4

About 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane

2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane (PubChem CID 24075) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane
PubChem CID24075
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane
SMILESCC1(COCC2(C)CO2)CO1
InChIInChI=1S/C8H14O3/c1-7(5-10-7)3-9-4-8(2)6-11-8/h3-6H2,1-2H3
InChIKeyFPFZKFZYQYTAHO-UHFFFAOYSA-N
XLogP0.58
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane?
The IUPAC name of 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane (CID 24075) is 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane.
What is the SMILES notation for 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane?
The canonical SMILES for 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane is CC1(COCC2(C)CO2)CO1.
What is the InChIKey of 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane?
The InChIKey is FPFZKFZYQYTAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(5-10-7)3-9-4-8(2)6-11-8/h3-6H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane?
2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane has a molecular weight of 158.20 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane is sourced from PubChem (CID 24075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).