3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol

C11H22O5 — CID 76621622

IUPAC3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
SMILESCCCOC1C(OC)C(C)OC(O)C1OC
InChIInChI=1S/C11H22O5/c1-5-6-15-9-8(13-3)7(2)16-11(12)10(9)14-4/h7-12H,5-6H2,1-4H3
InChIKeyMOZVTZZNYKFDAS-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.55
Rot. Bonds5

About 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol

3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol (PubChem CID 76621622) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol.

Molecular Properties

Compound Name3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
PubChem CID76621622
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
SMILESCCCOC1C(OC)C(C)OC(O)C1OC
InChIInChI=1S/C11H22O5/c1-5-6-15-9-8(13-3)7(2)16-11(12)10(9)14-4/h7-12H,5-6H2,1-4H3
InChIKeyMOZVTZZNYKFDAS-UHFFFAOYSA-N
XLogP0.55
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol?
The IUPAC name of 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol (CID 76621622) is 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol.
What is the SMILES notation for 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol?
The canonical SMILES for 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol is CCCOC1C(OC)C(C)OC(O)C1OC.
What is the InChIKey of 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol?
The InChIKey is MOZVTZZNYKFDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-5-6-15-9-8(13-3)7(2)16-11(12)10(9)14-4/h7-12H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol?
3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol has a molecular weight of 234.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol is sourced from PubChem (CID 76621622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).