3-ethyl-6-methoxyoxan-3-ol

C8H16O3 — CID 135225267

IUPAC3-ethyl-6-methoxyoxan-3-ol
SMILESCCC1(O)CCC(OC)OC1
InChIInChI=1S/C8H16O3/c1-3-8(9)5-4-7(10-2)11-6-8/h7,9H,3-6H2,1-2H3
InChIKeyRRZRAESKLDHDQF-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds2

About 3-ethyl-6-methoxyoxan-3-ol

3-ethyl-6-methoxyoxan-3-ol (PubChem CID 135225267) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-ethyl-6-methoxyoxan-3-ol.

Molecular Properties

Compound Name3-ethyl-6-methoxyoxan-3-ol
PubChem CID135225267
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-ethyl-6-methoxyoxan-3-ol
SMILESCCC1(O)CCC(OC)OC1
InChIInChI=1S/C8H16O3/c1-3-8(9)5-4-7(10-2)11-6-8/h7,9H,3-6H2,1-2H3
InChIKeyRRZRAESKLDHDQF-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxyoxan-3-ol?
The IUPAC name of 3-ethyl-6-methoxyoxan-3-ol (CID 135225267) is 3-ethyl-6-methoxyoxan-3-ol.
What is the SMILES notation for 3-ethyl-6-methoxyoxan-3-ol?
The canonical SMILES for 3-ethyl-6-methoxyoxan-3-ol is CCC1(O)CCC(OC)OC1.
What is the InChIKey of 3-ethyl-6-methoxyoxan-3-ol?
The InChIKey is RRZRAESKLDHDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-8(9)5-4-7(10-2)11-6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-6-methoxyoxan-3-ol?
3-ethyl-6-methoxyoxan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxyoxan-3-ol is sourced from PubChem (CID 135225267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).