2-(butoxymethyl)-2-methyloxirane

C8H16O2 — CID 23468445

IUPAC2-(butoxymethyl)-2-methyloxirane
SMILESCCCCOCC1(C)CO1
InChIInChI=1S/C8H16O2/c1-3-4-5-9-6-8(2)7-10-8/h3-7H2,1-2H3
InChIKeyJGNCDUQCWVBYSO-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds5

About 2-(butoxymethyl)-2-methyloxirane

2-(butoxymethyl)-2-methyloxirane (PubChem CID 23468445) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(butoxymethyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(butoxymethyl)-2-methyloxirane
PubChem CID23468445
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(butoxymethyl)-2-methyloxirane
SMILESCCCCOCC1(C)CO1
InChIInChI=1S/C8H16O2/c1-3-4-5-9-6-8(2)7-10-8/h3-7H2,1-2H3
InChIKeyJGNCDUQCWVBYSO-UHFFFAOYSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-2-methyloxirane?
The IUPAC name of 2-(butoxymethyl)-2-methyloxirane (CID 23468445) is 2-(butoxymethyl)-2-methyloxirane.
What is the SMILES notation for 2-(butoxymethyl)-2-methyloxirane?
The canonical SMILES for 2-(butoxymethyl)-2-methyloxirane is CCCCOCC1(C)CO1.
What is the InChIKey of 2-(butoxymethyl)-2-methyloxirane?
The InChIKey is JGNCDUQCWVBYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-9-6-8(2)7-10-8/h3-7H2,1-2H3.
What are the key properties of 2-(butoxymethyl)-2-methyloxirane?
2-(butoxymethyl)-2-methyloxirane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-2-methyloxirane is sourced from PubChem (CID 23468445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).