3-methoxy-4,5,6-trimethyloxan-2-ol

C9H18O3 — CID 58298710

IUPAC3-methoxy-4,5,6-trimethyloxan-2-ol
SMILESCOC1C(O)OC(C)C(C)C1C
InChIInChI=1S/C9H18O3/c1-5-6(2)8(11-4)9(10)12-7(5)3/h5-10H,1-4H3
InChIKeyRBHYQTQOIMGBAU-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.01
Rot. Bonds1

About 3-methoxy-4,5,6-trimethyloxan-2-ol

3-methoxy-4,5,6-trimethyloxan-2-ol (PubChem CID 58298710) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-methoxy-4,5,6-trimethyloxan-2-ol.

Molecular Properties

Compound Name3-methoxy-4,5,6-trimethyloxan-2-ol
PubChem CID58298710
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-methoxy-4,5,6-trimethyloxan-2-ol
SMILESCOC1C(O)OC(C)C(C)C1C
InChIInChI=1S/C9H18O3/c1-5-6(2)8(11-4)9(10)12-7(5)3/h5-10H,1-4H3
InChIKeyRBHYQTQOIMGBAU-UHFFFAOYSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4,5,6-trimethyloxan-2-ol?
The IUPAC name of 3-methoxy-4,5,6-trimethyloxan-2-ol (CID 58298710) is 3-methoxy-4,5,6-trimethyloxan-2-ol.
What is the SMILES notation for 3-methoxy-4,5,6-trimethyloxan-2-ol?
The canonical SMILES for 3-methoxy-4,5,6-trimethyloxan-2-ol is COC1C(O)OC(C)C(C)C1C.
What is the InChIKey of 3-methoxy-4,5,6-trimethyloxan-2-ol?
The InChIKey is RBHYQTQOIMGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-6(2)8(11-4)9(10)12-7(5)3/h5-10H,1-4H3.
What are the key properties of 3-methoxy-4,5,6-trimethyloxan-2-ol?
3-methoxy-4,5,6-trimethyloxan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,5,6-trimethyloxan-2-ol is sourced from PubChem (CID 58298710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).