2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane

C13H24O4 — CID 23579726

IUPAC2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane
SMILESCOC1OCC1(C)CCCC1(C)COC1OC
InChIInChI=1S/C13H24O4/c1-12(8-16-10(12)14-3)6-5-7-13(2)9-17-11(13)15-4/h10-11H,5-9H2,1-4H3
InChIKeyYLGCJFSXGWCCIF-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.17
Rot. Bonds6

About 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane

2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane (PubChem CID 23579726) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane.

Molecular Properties

Compound Name2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane
PubChem CID23579726
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane
SMILESCOC1OCC1(C)CCCC1(C)COC1OC
InChIInChI=1S/C13H24O4/c1-12(8-16-10(12)14-3)6-5-7-13(2)9-17-11(13)15-4/h10-11H,5-9H2,1-4H3
InChIKeyYLGCJFSXGWCCIF-UHFFFAOYSA-N
XLogP2.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane?
The IUPAC name of 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane (CID 23579726) is 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane.
What is the SMILES notation for 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane?
The canonical SMILES for 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane is COC1OCC1(C)CCCC1(C)COC1OC.
What is the InChIKey of 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane?
The InChIKey is YLGCJFSXGWCCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-12(8-16-10(12)14-3)6-5-7-13(2)9-17-11(13)15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane?
2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane has a molecular weight of 244.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[3-(2-methoxy-3-methyloxetan-3-yl)propyl]-3-methyloxetane is sourced from PubChem (CID 23579726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).