3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane

C12H22O3 — CID 23497861

IUPAC3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane
SMILESCCC(OC(CC)C1COC1)C1COC1
InChIInChI=1S/C12H22O3/c1-3-11(9-5-13-6-9)15-12(4-2)10-7-14-8-10/h9-12H,3-8H2,1-2H3
InChIKeyHLQNHQOKIVRFLM-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.85
Rot. Bonds6

About 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane

3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane (PubChem CID 23497861) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane.

Molecular Properties

Compound Name3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane
PubChem CID23497861
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane
SMILESCCC(OC(CC)C1COC1)C1COC1
InChIInChI=1S/C12H22O3/c1-3-11(9-5-13-6-9)15-12(4-2)10-7-14-8-10/h9-12H,3-8H2,1-2H3
InChIKeyHLQNHQOKIVRFLM-UHFFFAOYSA-N
XLogP1.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane?
The IUPAC name of 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane (CID 23497861) is 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane.
What is the SMILES notation for 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane?
The canonical SMILES for 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane is CCC(OC(CC)C1COC1)C1COC1.
What is the InChIKey of 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane?
The InChIKey is HLQNHQOKIVRFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-11(9-5-13-6-9)15-12(4-2)10-7-14-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane?
3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane has a molecular weight of 214.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(oxetan-3-yl)propoxy]propyl]oxetane is sourced from PubChem (CID 23497861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).