2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane

C14H28O4 — CID 161498038

IUPAC2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane
SMILESCC(C)(C)OCC1CO1.CCCCOCC1CO1
InChIInChI=1S/2C7H14O2/c1-7(2,3)9-5-6-4-8-6;1-2-3-4-8-5-7-6-9-7/h6H,4-5H2,1-3H3;7H,2-6H2,1H3
InChIKeyWGLXFEUNDYDCBX-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.40
Rot. Bonds7

About 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane

2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane (PubChem CID 161498038) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane
PubChem CID161498038
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane
SMILESCC(C)(C)OCC1CO1.CCCCOCC1CO1
InChIInChI=1S/2C7H14O2/c1-7(2,3)9-5-6-4-8-6;1-2-3-4-8-5-7-6-9-7/h6H,4-5H2,1-3H3;7H,2-6H2,1H3
InChIKeyWGLXFEUNDYDCBX-UHFFFAOYSA-N
XLogP2.40
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]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

CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
2-(butoxymethyl)oxirane;oxonane
CID 20569142
2-(propoxymethyl)oxirane
CID 18406
2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane
CID 174860691

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane?
The IUPAC name of 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane (CID 161498038) is 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane?
The canonical SMILES for 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane is CC(C)(C)OCC1CO1.CCCCOCC1CO1.
What is the InChIKey of 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane?
The InChIKey is WGLXFEUNDYDCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O2/c1-7(2,3)9-5-6-4-8-6;1-2-3-4-8-5-7-6-9-7/h6H,4-5H2,1-3H3;7H,2-6H2,1H3.
What are the key properties of 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane?
2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane has a molecular weight of 260.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane is sourced from PubChem (CID 161498038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).