2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol

C12H24O4 — CID 66623203

IUPAC2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol
SMILESCCC(COCCO)OCC1(CC)COC1
InChIInChI=1S/C12H24O4/c1-3-11(7-14-6-5-13)16-10-12(4-2)8-15-9-12/h11,13H,3-10H2,1-2H3
InChIKeyDVSDTPMZVLDKRT-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.22
Rot. Bonds9

About 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol

2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol (PubChem CID 66623203) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol
PubChem CID66623203
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol
SMILESCCC(COCCO)OCC1(CC)COC1
InChIInChI=1S/C12H24O4/c1-3-11(7-14-6-5-13)16-10-12(4-2)8-15-9-12/h11,13H,3-10H2,1-2H3
InChIKeyDVSDTPMZVLDKRT-UHFFFAOYSA-N
XLogP1.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol?
The IUPAC name of 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol (CID 66623203) is 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol?
The canonical SMILES for 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol is CCC(COCCO)OCC1(CC)COC1.
What is the InChIKey of 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol?
The InChIKey is DVSDTPMZVLDKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-3-11(7-14-6-5-13)16-10-12(4-2)8-15-9-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol?
2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol has a molecular weight of 232.32 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyloxetan-3-yl)methoxy]butoxy]ethanol is sourced from PubChem (CID 66623203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).