3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane

C14H22O2 — CID 69415117

IUPAC3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane
SMILESCC1CC2(COC3CCCOC3)C=CC1C2
InChIInChI=1S/C14H22O2/c1-11-7-14(5-4-12(11)8-14)10-16-13-3-2-6-15-9-13/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeySOKPNNYZOXENBQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.78
Rot. Bonds3

About 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane

3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane (PubChem CID 69415117) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane.

Molecular Properties

Compound Name3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane
PubChem CID69415117
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane
SMILESCC1CC2(COC3CCCOC3)C=CC1C2
InChIInChI=1S/C14H22O2/c1-11-7-14(5-4-12(11)8-14)10-16-13-3-2-6-15-9-13/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeySOKPNNYZOXENBQ-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.78
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 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane?
The IUPAC name of 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane (CID 69415117) is 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane.
What is the SMILES notation for 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane?
The canonical SMILES for 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane is CC1CC2(COC3CCCOC3)C=CC1C2.
What is the InChIKey of 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane?
The InChIKey is SOKPNNYZOXENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11-7-14(5-4-12(11)8-14)10-16-13-3-2-6-15-9-13/h4-5,11-13H,2-3,6-10H2,1H3.
What are the key properties of 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane?
3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane has a molecular weight of 222.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)methoxy]oxane is sourced from PubChem (CID 69415117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).