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

C16H24O2 — CID 18410367

IUPAC5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one
SMILESO=C1CCC(CCCCCC2CC3C=CC2C3)O1
InChIInChI=1S/C16H24O2/c17-16-9-8-15(18-16)5-3-1-2-4-13-10-12-6-7-14(13)11-12/h6-7,12-15H,1-5,8-11H2
InChIKeyWAZIVBJZRHRALA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.85
Rot. Bonds6

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

5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one (PubChem CID 18410367) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one.

Molecular Properties

Compound Name5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one
PubChem CID18410367
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one
SMILESO=C1CCC(CCCCCC2CC3C=CC2C3)O1
InChIInChI=1S/C16H24O2/c17-16-9-8-15(18-16)5-3-1-2-4-13-10-12-6-7-14(13)11-12/h6-7,12-15H,1-5,8-11H2
InChIKeyWAZIVBJZRHRALA-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one?
The IUPAC name of 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one (CID 18410367) is 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one.
What is the SMILES notation for 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one?
The canonical SMILES for 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one is O=C1CCC(CCCCCC2CC3C=CC2C3)O1.
What is the InChIKey of 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one?
The InChIKey is WAZIVBJZRHRALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-16-9-8-15(18-16)5-3-1-2-4-13-10-12-6-7-14(13)11-12/h6-7,12-15H,1-5,8-11H2.
What are the key properties of 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one?
5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one has a molecular weight of 248.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolan-2-one is sourced from PubChem (CID 18410367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).