4,5-dimethoxy-2,6-dimethyloxan-3-ol

C9H18O4 — CID 23383139

IUPAC4,5-dimethoxy-2,6-dimethyloxan-3-ol
SMILESCOC1C(C)OC(C)C(O)C1OC
InChIInChI=1S/C9H18O4/c1-5-7(10)9(12-4)8(11-3)6(2)13-5/h5-10H,1-4H3
InChIKeyBBGFTQCERXPALH-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.18
Rot. Bonds2

About 4,5-dimethoxy-2,6-dimethyloxan-3-ol

4,5-dimethoxy-2,6-dimethyloxan-3-ol (PubChem CID 23383139) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4,5-dimethoxy-2,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name4,5-dimethoxy-2,6-dimethyloxan-3-ol
PubChem CID23383139
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name4,5-dimethoxy-2,6-dimethyloxan-3-ol
SMILESCOC1C(C)OC(C)C(O)C1OC
InChIInChI=1S/C9H18O4/c1-5-7(10)9(12-4)8(11-3)6(2)13-5/h5-10H,1-4H3
InChIKeyBBGFTQCERXPALH-UHFFFAOYSA-N
XLogP0.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2,6-dimethyloxan-3-ol?
The IUPAC name of 4,5-dimethoxy-2,6-dimethyloxan-3-ol (CID 23383139) is 4,5-dimethoxy-2,6-dimethyloxan-3-ol.
What is the SMILES notation for 4,5-dimethoxy-2,6-dimethyloxan-3-ol?
The canonical SMILES for 4,5-dimethoxy-2,6-dimethyloxan-3-ol is COC1C(C)OC(C)C(O)C1OC.
What is the InChIKey of 4,5-dimethoxy-2,6-dimethyloxan-3-ol?
The InChIKey is BBGFTQCERXPALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-5-7(10)9(12-4)8(11-3)6(2)13-5/h5-10H,1-4H3.
What are the key properties of 4,5-dimethoxy-2,6-dimethyloxan-3-ol?
4,5-dimethoxy-2,6-dimethyloxan-3-ol has a molecular weight of 190.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2,6-dimethyloxan-3-ol is sourced from PubChem (CID 23383139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).