6-methoxy-2,4-dimethyloxan-3-ol

C8H16O3 — CID 58831559

IUPAC6-methoxy-2,4-dimethyloxan-3-ol
SMILESCOC1CC(C)C(O)C(C)O1
InChIInChI=1S/C8H16O3/c1-5-4-7(10-3)11-6(2)8(5)9/h5-9H,4H2,1-3H3
InChIKeyADQJTPHMBDYGQB-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.76
Rot. Bonds1

About 6-methoxy-2,4-dimethyloxan-3-ol

6-methoxy-2,4-dimethyloxan-3-ol (PubChem CID 58831559) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 6-methoxy-2,4-dimethyloxan-3-ol.

Molecular Properties

Compound Name6-methoxy-2,4-dimethyloxan-3-ol
PubChem CID58831559
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name6-methoxy-2,4-dimethyloxan-3-ol
SMILESCOC1CC(C)C(O)C(C)O1
InChIInChI=1S/C8H16O3/c1-5-4-7(10-3)11-6(2)8(5)9/h5-9H,4H2,1-3H3
InChIKeyADQJTPHMBDYGQB-UHFFFAOYSA-N
XLogP0.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-dimethyloxan-3-ol?
The IUPAC name of 6-methoxy-2,4-dimethyloxan-3-ol (CID 58831559) is 6-methoxy-2,4-dimethyloxan-3-ol.
What is the SMILES notation for 6-methoxy-2,4-dimethyloxan-3-ol?
The canonical SMILES for 6-methoxy-2,4-dimethyloxan-3-ol is COC1CC(C)C(O)C(C)O1.
What is the InChIKey of 6-methoxy-2,4-dimethyloxan-3-ol?
The InChIKey is ADQJTPHMBDYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-4-7(10-3)11-6(2)8(5)9/h5-9H,4H2,1-3H3.
What are the key properties of 6-methoxy-2,4-dimethyloxan-3-ol?
6-methoxy-2,4-dimethyloxan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4-dimethyloxan-3-ol is sourced from PubChem (CID 58831559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).