2-methoxy-3-(2-methoxyoxan-3-yl)oxane

C12H22O4 — CID 575050

IUPAC2-methoxy-3-(2-methoxyoxan-3-yl)oxane
SMILESCOC1OCCCC1C1CCCOC1OC
InChIInChI=1S/C12H22O4/c1-13-11-9(5-3-7-15-11)10-6-4-8-16-12(10)14-2/h9-12H,3-8H2,1-2H3
InChIKeyBBOMCOCSHQIJQZ-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.78
Rot. Bonds3

About 2-methoxy-3-(2-methoxyoxan-3-yl)oxane

2-methoxy-3-(2-methoxyoxan-3-yl)oxane (PubChem CID 575050) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxyoxan-3-yl)oxane.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxyoxan-3-yl)oxane
PubChem CID575050
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-methoxy-3-(2-methoxyoxan-3-yl)oxane
SMILESCOC1OCCCC1C1CCCOC1OC
InChIInChI=1S/C12H22O4/c1-13-11-9(5-3-7-15-11)10-6-4-8-16-12(10)14-2/h9-12H,3-8H2,1-2H3
InChIKeyBBOMCOCSHQIJQZ-UHFFFAOYSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methoxyoxan-3-yl)oxane?
The IUPAC name of 2-methoxy-3-(2-methoxyoxan-3-yl)oxane (CID 575050) is 2-methoxy-3-(2-methoxyoxan-3-yl)oxane.
What is the SMILES notation for 2-methoxy-3-(2-methoxyoxan-3-yl)oxane?
The canonical SMILES for 2-methoxy-3-(2-methoxyoxan-3-yl)oxane is COC1OCCCC1C1CCCOC1OC.
What is the InChIKey of 2-methoxy-3-(2-methoxyoxan-3-yl)oxane?
The InChIKey is BBOMCOCSHQIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-13-11-9(5-3-7-15-11)10-6-4-8-16-12(10)14-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-3-(2-methoxyoxan-3-yl)oxane?
2-methoxy-3-(2-methoxyoxan-3-yl)oxane has a molecular weight of 230.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxyoxan-3-yl)oxane is sourced from PubChem (CID 575050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).