5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C8H12O2 — CID 22600968

IUPAC5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOCC1CC2C=CC1O2
InChIInChI=1S/C8H12O2/c1-9-5-6-4-7-2-3-8(6)10-7/h2-3,6-8H,4-5H2,1H3
InChIKeyMEOAUNNBUZVPKB-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.98
Rot. Bonds2

About 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 22600968) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID22600968
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOCC1CC2C=CC1O2
InChIInChI=1S/C8H12O2/c1-9-5-6-4-7-2-3-8(6)10-7/h2-3,6-8H,4-5H2,1H3
InChIKeyMEOAUNNBUZVPKB-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 22600968) is 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene is COCC1CC2C=CC1O2.
What is the InChIKey of 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is MEOAUNNBUZVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-9-5-6-4-7-2-3-8(6)10-7/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 140.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22600968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).