3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane

C9H14O2 — CID 86259518

IUPAC3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane
SMILESCOC=C1CC2CCC(C1)O2
InChIInChI=1S/C9H14O2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h6,8-9H,2-5H2,1H3
InChIKeyLKQLKGJVMHWLNQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds1

About 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane

3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane (PubChem CID 86259518) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane
PubChem CID86259518
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane
SMILESCOC=C1CC2CCC(C1)O2
InChIInChI=1S/C9H14O2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h6,8-9H,2-5H2,1H3
InChIKeyLKQLKGJVMHWLNQ-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane (CID 86259518) is 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane is COC=C1CC2CCC(C1)O2.
What is the InChIKey of 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane?
The InChIKey is LKQLKGJVMHWLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane?
3-(methoxymethylidene)-8-oxabicyclo[3.2.1]octane has a molecular weight of 154.21 g/mol, XLogP of 1.86, 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]octane is sourced from PubChem (CID 86259518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).