2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol

C11H22O4 — CID 103491287

IUPAC2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol
SMILESCCOCC(C)OC1CC(O)C1OCC
InChIInChI=1S/C11H22O4/c1-4-13-7-8(3)15-10-6-9(12)11(10)14-5-2/h8-12H,4-7H2,1-3H3
InChIKeyBGGUEFPRGCVWIV-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.97
Rot. Bonds7

About 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol

2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol (PubChem CID 103491287) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol
PubChem CID103491287
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol
SMILESCCOCC(C)OC1CC(O)C1OCC
InChIInChI=1S/C11H22O4/c1-4-13-7-8(3)15-10-6-9(12)11(10)14-5-2/h8-12H,4-7H2,1-3H3
InChIKeyBGGUEFPRGCVWIV-UHFFFAOYSA-N
XLogP0.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol?
The IUPAC name of 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol (CID 103491287) is 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol.
What is the SMILES notation for 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol?
The canonical SMILES for 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol is CCOCC(C)OC1CC(O)C1OCC.
What is the InChIKey of 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol?
The InChIKey is BGGUEFPRGCVWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-13-7-8(3)15-10-6-9(12)11(10)14-5-2/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol?
2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol has a molecular weight of 218.29 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-ol is sourced from PubChem (CID 103491287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).