5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol

C11H22O3 — CID 18343519

IUPAC5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol
SMILESCCC1C(C)OC(COC)C(C)C1O
InChIInChI=1S/C11H22O3/c1-5-9-8(3)14-10(6-13-4)7(2)11(9)12/h7-12H,5-6H2,1-4H3
InChIKeyJEGHENNRGRISAM-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.44
Rot. Bonds3

About 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol

5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol (PubChem CID 18343519) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol
PubChem CID18343519
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol
SMILESCCC1C(C)OC(COC)C(C)C1O
InChIInChI=1S/C11H22O3/c1-5-9-8(3)14-10(6-13-4)7(2)11(9)12/h7-12H,5-6H2,1-4H3
InChIKeyJEGHENNRGRISAM-UHFFFAOYSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol?
The IUPAC name of 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol (CID 18343519) is 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol.
What is the SMILES notation for 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol?
The canonical SMILES for 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol is CCC1C(C)OC(COC)C(C)C1O.
What is the InChIKey of 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol?
The InChIKey is JEGHENNRGRISAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-9-8(3)14-10(6-13-4)7(2)11(9)12/h7-12H,5-6H2,1-4H3.
What are the key properties of 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol?
5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol has a molecular weight of 202.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(methoxymethyl)-3,6-dimethyloxan-4-ol is sourced from PubChem (CID 18343519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).