oxetan-2-yl(oxetan-2-ylmethoxy)methanol

C8H14O4 — CID 174882847

IUPACoxetan-2-yl(oxetan-2-ylmethoxy)methanol
SMILESOC(OCC1CCO1)C1CCO1
InChIInChI=1S/C8H14O4/c9-8(7-2-4-11-7)12-5-6-1-3-10-6/h6-9H,1-5H2
InChIKeyXRIXAROQIMHJHH-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.10
Rot. Bonds4

About oxetan-2-yl(oxetan-2-ylmethoxy)methanol

oxetan-2-yl(oxetan-2-ylmethoxy)methanol (PubChem CID 174882847) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is oxetan-2-yl(oxetan-2-ylmethoxy)methanol.

Molecular Properties

Compound Nameoxetan-2-yl(oxetan-2-ylmethoxy)methanol
PubChem CID174882847
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameoxetan-2-yl(oxetan-2-ylmethoxy)methanol
SMILESOC(OCC1CCO1)C1CCO1
InChIInChI=1S/C8H14O4/c9-8(7-2-4-11-7)12-5-6-1-3-10-6/h6-9H,1-5H2
InChIKeyXRIXAROQIMHJHH-UHFFFAOYSA-N
XLogP-0.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl(oxetan-2-ylmethoxy)methanol?
The IUPAC name of oxetan-2-yl(oxetan-2-ylmethoxy)methanol (CID 174882847) is oxetan-2-yl(oxetan-2-ylmethoxy)methanol.
What is the SMILES notation for oxetan-2-yl(oxetan-2-ylmethoxy)methanol?
The canonical SMILES for oxetan-2-yl(oxetan-2-ylmethoxy)methanol is OC(OCC1CCO1)C1CCO1.
What is the InChIKey of oxetan-2-yl(oxetan-2-ylmethoxy)methanol?
The InChIKey is XRIXAROQIMHJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c9-8(7-2-4-11-7)12-5-6-1-3-10-6/h6-9H,1-5H2.
What are the key properties of oxetan-2-yl(oxetan-2-ylmethoxy)methanol?
oxetan-2-yl(oxetan-2-ylmethoxy)methanol has a molecular weight of 174.20 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl(oxetan-2-ylmethoxy)methanol is sourced from PubChem (CID 174882847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).