3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane

C12H24O4 — CID 134854835

IUPAC3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane
SMILESCOC1CC(C)OC(C(C)(C)OC)C1OC
InChIInChI=1S/C12H24O4/c1-8-7-9(13-4)10(14-5)11(16-8)12(2,3)15-6/h8-11H,7H2,1-6H3
InChIKeySWIFSJPRWUKWAB-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.62
Rot. Bonds4

About 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane

3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane (PubChem CID 134854835) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane.

Molecular Properties

Compound Name3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane
PubChem CID134854835
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane
SMILESCOC1CC(C)OC(C(C)(C)OC)C1OC
InChIInChI=1S/C12H24O4/c1-8-7-9(13-4)10(14-5)11(16-8)12(2,3)15-6/h8-11H,7H2,1-6H3
InChIKeySWIFSJPRWUKWAB-UHFFFAOYSA-N
XLogP1.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane?
The IUPAC name of 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane (CID 134854835) is 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane.
What is the SMILES notation for 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane?
The canonical SMILES for 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane is COC1CC(C)OC(C(C)(C)OC)C1OC.
What is the InChIKey of 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane?
The InChIKey is SWIFSJPRWUKWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-8-7-9(13-4)10(14-5)11(16-8)12(2,3)15-6/h8-11H,7H2,1-6H3.
What are the key properties of 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane?
3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane has a molecular weight of 232.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane is sourced from PubChem (CID 134854835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).