2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C10H16O3 — CID 56987581

IUPAC2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOCC1=C(COC)C2CCC1O2
InChIInChI=1S/C10H16O3/c1-11-5-7-8(6-12-2)10-4-3-9(7)13-10/h9-10H,3-6H2,1-2H3
InChIKeyIOZMAIONPQDOIY-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.14
Rot. Bonds4

About 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 56987581) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID56987581
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOCC1=C(COC)C2CCC1O2
InChIInChI=1S/C10H16O3/c1-11-5-7-8(6-12-2)10-4-3-9(7)13-10/h9-10H,3-6H2,1-2H3
InChIKeyIOZMAIONPQDOIY-UHFFFAOYSA-N
XLogP1.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 56987581) is 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene is COCC1=C(COC)C2CCC1O2.
What is the InChIKey of 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is IOZMAIONPQDOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-11-5-7-8(6-12-2)10-4-3-9(7)13-10/h9-10H,3-6H2,1-2H3.
What are the key properties of 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 184.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 56987581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).