5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one

C12H16O2 — CID 18410368

IUPAC5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one
SMILESO=C1CCC(CC2CC3C=CC2C3)O1
InChIInChI=1S/C12H16O2/c13-12-4-3-11(14-12)7-10-6-8-1-2-9(10)5-8/h1-2,8-11H,3-7H2
InChIKeyVLZSOFHOYJKABO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.29
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one

5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one (PubChem CID 18410368) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one
PubChem CID18410368
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one
SMILESO=C1CCC(CC2CC3C=CC2C3)O1
InChIInChI=1S/C12H16O2/c13-12-4-3-11(14-12)7-10-6-8-1-2-9(10)5-8/h1-2,8-11H,3-7H2
InChIKeyVLZSOFHOYJKABO-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.29
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-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one?
The IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one (CID 18410368) is 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one?
The canonical SMILES for 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one is O=C1CCC(CC2CC3C=CC2C3)O1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one?
The InChIKey is VLZSOFHOYJKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-12-4-3-11(14-12)7-10-6-8-1-2-9(10)5-8/h1-2,8-11H,3-7H2.
What are the key properties of 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one?
5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one is sourced from PubChem (CID 18410368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).