5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene

C11H18O2 — CID 15474566

IUPAC5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOCC1C2C=CC(C2)C1COC
InChIInChI=1S/C11H18O2/c1-12-6-10-8-3-4-9(5-8)11(10)7-13-2/h3-4,8-11H,5-7H2,1-2H3
InChIKeyDEDUCJUKZLKZHX-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.72
Rot. Bonds4

About 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene

5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 15474566) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID15474566
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOCC1C2C=CC(C2)C1COC
InChIInChI=1S/C11H18O2/c1-12-6-10-8-3-4-9(5-8)11(10)7-13-2/h3-4,8-11H,5-7H2,1-2H3
InChIKeyDEDUCJUKZLKZHX-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.72
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 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 15474566) is 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene is COCC1C2C=CC(C2)C1COC.
What is the InChIKey of 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is DEDUCJUKZLKZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-12-6-10-8-3-4-9(5-8)11(10)7-13-2/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene?
5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 182.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 15474566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).