2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane

C12H18O2 — CID 69412957

IUPAC2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane
SMILESCC1CC2(OC3CCCO3)C=CC1C2
InChIInChI=1S/C12H18O2/c1-9-7-12(5-4-10(9)8-12)14-11-3-2-6-13-11/h4-5,9-11H,2-3,6-8H2,1H3
InChIKeyKNOQUCCNLNLOML-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.49
Rot. Bonds2

About 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane

2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane (PubChem CID 69412957) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane.

Molecular Properties

Compound Name2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane
PubChem CID69412957
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane
SMILESCC1CC2(OC3CCCO3)C=CC1C2
InChIInChI=1S/C12H18O2/c1-9-7-12(5-4-10(9)8-12)14-11-3-2-6-13-11/h4-5,9-11H,2-3,6-8H2,1H3
InChIKeyKNOQUCCNLNLOML-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.49
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 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane?
The IUPAC name of 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane (CID 69412957) is 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane.
What is the SMILES notation for 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane?
The canonical SMILES for 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane is CC1CC2(OC3CCCO3)C=CC1C2.
What is the InChIKey of 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane?
The InChIKey is KNOQUCCNLNLOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-7-12(5-4-10(9)8-12)14-11-3-2-6-13-11/h4-5,9-11H,2-3,6-8H2,1H3.
What are the key properties of 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane?
2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane has a molecular weight of 194.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane is sourced from PubChem (CID 69412957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).