5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one

C14H22O2 — CID 56634416

IUPAC5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one
SMILESO=C1CCCCC2CC=C(CCCOC1)C2
InChIInChI=1S/C14H22O2/c15-14-6-2-1-4-12-7-8-13(10-12)5-3-9-16-11-14/h8,12H,1-7,9-11H2
InChIKeyCBVVIQNAVLLEKR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.26
Rot. Bonds

About 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one

5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one (PubChem CID 56634416) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one.

Molecular Properties

Compound Name5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one
PubChem CID56634416
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one
SMILESO=C1CCCCC2CC=C(CCCOC1)C2
InChIInChI=1S/C14H22O2/c15-14-6-2-1-4-12-7-8-13(10-12)5-3-9-16-11-14/h8,12H,1-7,9-11H2
InChIKeyCBVVIQNAVLLEKR-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.26
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-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one?
The IUPAC name of 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one (CID 56634416) is 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one.
What is the SMILES notation for 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one?
The canonical SMILES for 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one is O=C1CCCCC2CC=C(CCCOC1)C2.
What is the InChIKey of 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one?
The InChIKey is CBVVIQNAVLLEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-14-6-2-1-4-12-7-8-13(10-12)5-3-9-16-11-14/h8,12H,1-7,9-11H2.
What are the key properties of 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one?
5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one has a molecular weight of 222.33 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxabicyclo[10.2.1]pentadec-1(14)-en-7-one is sourced from PubChem (CID 56634416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).