2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol

C11H22O4 — CID 137364393

IUPAC2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol
SMILESCCC1(COCC(C)OCCO)COC1
InChIInChI=1S/C11H22O4/c1-3-11(8-14-9-11)7-13-6-10(2)15-5-4-12/h10,12H,3-9H2,1-2H3
InChIKeyGEIJNALNZNPMTQ-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.83
Rot. Bonds8

About 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol

2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol (PubChem CID 137364393) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol
PubChem CID137364393
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol
SMILESCCC1(COCC(C)OCCO)COC1
InChIInChI=1S/C11H22O4/c1-3-11(8-14-9-11)7-13-6-10(2)15-5-4-12/h10,12H,3-9H2,1-2H3
InChIKeyGEIJNALNZNPMTQ-UHFFFAOYSA-N
XLogP0.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol?
The IUPAC name of 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol (CID 137364393) is 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol.
What is the SMILES notation for 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol?
The canonical SMILES for 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol is CCC1(COCC(C)OCCO)COC1.
What is the InChIKey of 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol?
The InChIKey is GEIJNALNZNPMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-11(8-14-9-11)7-13-6-10(2)15-5-4-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol?
2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol has a molecular weight of 218.29 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]ethanol is sourced from PubChem (CID 137364393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).