3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane

C14H26O3 — CID 67061092

IUPAC3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane
SMILESCCCCOCC(CC)(C1COC1)C1COC1
InChIInChI=1S/C14H26O3/c1-3-5-6-15-11-14(4-2,12-7-16-8-12)13-9-17-10-13/h12-13H,3-11H2,1-2H3
InChIKeyPNJXGGJQQFWYPY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.49
Rot. Bonds8

About 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane

3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane (PubChem CID 67061092) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane.

Molecular Properties

Compound Name3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane
PubChem CID67061092
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane
SMILESCCCCOCC(CC)(C1COC1)C1COC1
InChIInChI=1S/C14H26O3/c1-3-5-6-15-11-14(4-2,12-7-16-8-12)13-9-17-10-13/h12-13H,3-11H2,1-2H3
InChIKeyPNJXGGJQQFWYPY-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane?
The IUPAC name of 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane (CID 67061092) is 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane.
What is the SMILES notation for 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane?
The canonical SMILES for 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane is CCCCOCC(CC)(C1COC1)C1COC1.
What is the InChIKey of 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane?
The InChIKey is PNJXGGJQQFWYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-15-11-14(4-2,12-7-16-8-12)13-9-17-10-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane?
3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane has a molecular weight of 242.36 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butoxy-2-(oxetan-3-yl)butan-2-yl]oxetane is sourced from PubChem (CID 67061092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).