1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol

C11H22O4 — CID 146554267

IUPAC1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol
SMILESCCOCC(O)COCC1(CC)COC1
InChIInChI=1S/C11H22O4/c1-3-11(8-15-9-11)7-14-6-10(12)5-13-4-2/h10,12H,3-9H2,1-2H3
InChIKeyONMHLKYXWQLPPR-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.83
Rot. Bonds8

About 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol

1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol (PubChem CID 146554267) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol
PubChem CID146554267
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol
SMILESCCOCC(O)COCC1(CC)COC1
InChIInChI=1S/C11H22O4/c1-3-11(8-15-9-11)7-14-6-10(12)5-13-4-2/h10,12H,3-9H2,1-2H3
InChIKeyONMHLKYXWQLPPR-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 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol (CID 146554267) is 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol is CCOCC(O)COCC1(CC)COC1.
What is the InChIKey of 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol?
The InChIKey is ONMHLKYXWQLPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-11(8-15-9-11)7-14-6-10(12)5-13-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol?
1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol 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 1-ethoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol is sourced from PubChem (CID 146554267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).