16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one

C15H22O2 — CID 11310874

IUPAC16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one
SMILESO=c1cc2oc(c1)CCCCCCCCCC2
InChIInChI=1S/C15H22O2/c16-13-11-14-9-7-5-3-1-2-4-6-8-10-15(12-13)17-14/h11-12H,1-10H2
InChIKeyHHOCHLJGTNQBGI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.86
Rot. Bonds

About 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one

16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one (PubChem CID 11310874) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one.

Molecular Properties

Compound Name16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one
PubChem CID11310874
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one
SMILESO=c1cc2oc(c1)CCCCCCCCCC2
InChIInChI=1S/C15H22O2/c16-13-11-14-9-7-5-3-1-2-4-6-8-10-15(12-13)17-14/h11-12H,1-10H2
InChIKeyHHOCHLJGTNQBGI-UHFFFAOYSA-N
XLogP3.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one?
The IUPAC name of 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one (CID 11310874) is 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one.
What is the SMILES notation for 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one?
The canonical SMILES for 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one is O=c1cc2oc(c1)CCCCCCCCCC2.
What is the InChIKey of 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one?
The InChIKey is HHOCHLJGTNQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-13-11-14-9-7-5-3-1-2-4-6-8-10-15(12-13)17-14/h11-12H,1-10H2.
What are the key properties of 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one?
16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one has a molecular weight of 234.34 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one is sourced from PubChem (CID 11310874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).