bis(3-ethyl-2-methoxyoxetan-3-yl)methanol

C13H24O5 — CID 67234150

IUPACbis(3-ethyl-2-methoxyoxetan-3-yl)methanol
SMILESCCC1(C(O)C2(CC)COC2OC)COC1OC
InChIInChI=1S/C13H24O5/c1-5-12(7-17-10(12)15-3)9(14)13(6-2)8-18-11(13)16-4/h9-11,14H,5-8H2,1-4H3
InChIKeyMXFVRWBOVIITFL-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.15
Rot. Bonds6

About bis(3-ethyl-2-methoxyoxetan-3-yl)methanol

bis(3-ethyl-2-methoxyoxetan-3-yl)methanol (PubChem CID 67234150) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is bis(3-ethyl-2-methoxyoxetan-3-yl)methanol.

Molecular Properties

Compound Namebis(3-ethyl-2-methoxyoxetan-3-yl)methanol
PubChem CID67234150
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Namebis(3-ethyl-2-methoxyoxetan-3-yl)methanol
SMILESCCC1(C(O)C2(CC)COC2OC)COC1OC
InChIInChI=1S/C13H24O5/c1-5-12(7-17-10(12)15-3)9(14)13(6-2)8-18-11(13)16-4/h9-11,14H,5-8H2,1-4H3
InChIKeyMXFVRWBOVIITFL-UHFFFAOYSA-N
XLogP1.15
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(3-ethyl-2-methoxyoxetan-3-yl)methanol?
The IUPAC name of bis(3-ethyl-2-methoxyoxetan-3-yl)methanol (CID 67234150) is bis(3-ethyl-2-methoxyoxetan-3-yl)methanol.
What is the SMILES notation for bis(3-ethyl-2-methoxyoxetan-3-yl)methanol?
The canonical SMILES for bis(3-ethyl-2-methoxyoxetan-3-yl)methanol is CCC1(C(O)C2(CC)COC2OC)COC1OC.
What is the InChIKey of bis(3-ethyl-2-methoxyoxetan-3-yl)methanol?
The InChIKey is MXFVRWBOVIITFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-5-12(7-17-10(12)15-3)9(14)13(6-2)8-18-11(13)16-4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of bis(3-ethyl-2-methoxyoxetan-3-yl)methanol?
bis(3-ethyl-2-methoxyoxetan-3-yl)methanol has a molecular weight of 260.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethyl-2-methoxyoxetan-3-yl)methanol is sourced from PubChem (CID 67234150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).