2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane

C14H26O4 — CID 175060731

IUPAC2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane
SMILESCCCC(OOC(CCC)C1CCO1)C1CCO1
InChIInChI=1S/C14H26O4/c1-3-5-13(11-7-9-15-11)17-18-14(6-4-2)12-8-10-16-12/h11-14H,3-10H2,1-2H3
InChIKeyBNJOOUMFBVLUCT-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.85
Rot. Bonds9

About 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane

2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane (PubChem CID 175060731) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane.

Molecular Properties

Compound Name2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane
PubChem CID175060731
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane
SMILESCCCC(OOC(CCC)C1CCO1)C1CCO1
InChIInChI=1S/C14H26O4/c1-3-5-13(11-7-9-15-11)17-18-14(6-4-2)12-8-10-16-12/h11-14H,3-10H2,1-2H3
InChIKeyBNJOOUMFBVLUCT-UHFFFAOYSA-N
XLogP2.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
CID 68619255
2-(1-cyclopropylpentyl)oxetane
CID 174056372
trimethyl-[1-(oxiran-2-yl)butoxy]silane
CID 87853116
2-(1-hydroxybutyl)oxan-4-ol
CID 123732929
2-[1-(oxiran-2-yl)butoxymethyl]oxirane
CID 151610662
2-[1-(methoxymethoxy)undecyl]oxolane
CID 87669321
2-(dipropoxymethyl)oxolane
CID 12664780
2-methyl-1-(oxan-2-yl)pentan-1-amine
CID 107893762
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
[3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane
CID 67772829
2-heptan-4-yl-1,3-dioxolane
CID 57255481
4-(oxetan-2-yl)hexan-1-ol
CID 68993570

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane?
The IUPAC name of 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane (CID 175060731) is 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane.
What is the SMILES notation for 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane?
The canonical SMILES for 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane is CCCC(OOC(CCC)C1CCO1)C1CCO1.
What is the InChIKey of 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane?
The InChIKey is BNJOOUMFBVLUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-5-13(11-7-9-15-11)17-18-14(6-4-2)12-8-10-16-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane?
2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane has a molecular weight of 258.36 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane is sourced from PubChem (CID 175060731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).