3-ethoxy-5-methylidene-2H-pyran

C8H12O2 — CID 163669458

IUPAC3-ethoxy-5-methylidene-2H-pyran
SMILESC=C1C=C(OCC)COC1
InChIInChI=1S/C8H12O2/c1-3-10-8-4-7(2)5-9-6-8/h4H,2-3,5-6H2,1H3
InChIKeyJBGCCMJASVGYOP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.49
Rot. Bonds2

About 3-ethoxy-5-methylidene-2H-pyran

3-ethoxy-5-methylidene-2H-pyran (PubChem CID 163669458) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethoxy-5-methylidene-2H-pyran.

Molecular Properties

Compound Name3-ethoxy-5-methylidene-2H-pyran
PubChem CID163669458
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-ethoxy-5-methylidene-2H-pyran
SMILESC=C1C=C(OCC)COC1
InChIInChI=1S/C8H12O2/c1-3-10-8-4-7(2)5-9-6-8/h4H,2-3,5-6H2,1H3
InChIKeyJBGCCMJASVGYOP-UHFFFAOYSA-N
XLogP1.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methylidene-2H-pyran?
The IUPAC name of 3-ethoxy-5-methylidene-2H-pyran (CID 163669458) is 3-ethoxy-5-methylidene-2H-pyran.
What is the SMILES notation for 3-ethoxy-5-methylidene-2H-pyran?
The canonical SMILES for 3-ethoxy-5-methylidene-2H-pyran is C=C1C=C(OCC)COC1.
What is the InChIKey of 3-ethoxy-5-methylidene-2H-pyran?
The InChIKey is JBGCCMJASVGYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-10-8-4-7(2)5-9-6-8/h4H,2-3,5-6H2,1H3.
What are the key properties of 3-ethoxy-5-methylidene-2H-pyran?
3-ethoxy-5-methylidene-2H-pyran has a molecular weight of 140.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methylidene-2H-pyran is sourced from PubChem (CID 163669458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).