3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene

C9H12O2 — CID 18173092

IUPAC3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene
SMILESCOC=C1CC2C=CC(C1)O2
InChIInChI=1S/C9H12O2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h2-3,6,8-9H,4-5H2,1H3
InChIKeyIFMKEBZWWLQBBO-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.63
Rot. Bonds1

About 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene

3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene (PubChem CID 18173092) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene
PubChem CID18173092
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene
SMILESCOC=C1CC2C=CC(C1)O2
InChIInChI=1S/C9H12O2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h2-3,6,8-9H,4-5H2,1H3
InChIKeyIFMKEBZWWLQBBO-UHFFFAOYSA-N
XLogP1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene (CID 18173092) is 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene is COC=C1CC2C=CC(C1)O2.
What is the InChIKey of 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene?
The InChIKey is IFMKEBZWWLQBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h2-3,6,8-9H,4-5H2,1H3.
What are the key properties of 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene?
3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene has a molecular weight of 152.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 18173092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).