2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one

C14H18O2 — CID 72551303

IUPAC2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
SMILESO=C1CCCCCCCOc2ccccc21
InChIInChI=1S/C14H18O2/c15-13-9-4-2-1-3-7-11-16-14-10-6-5-8-12(13)14/h5-6,8,10H,1-4,7,9,11H2
InChIKeyPWNIPQHINFUFEI-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.60
Rot. Bonds

About 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one

2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one (PubChem CID 72551303) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one.

Molecular Properties

Compound Name2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
PubChem CID72551303
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
SMILESO=C1CCCCCCCOc2ccccc21
InChIInChI=1S/C14H18O2/c15-13-9-4-2-1-3-7-11-16-14-10-6-5-8-12(13)14/h5-6,8,10H,1-4,7,9,11H2
InChIKeyPWNIPQHINFUFEI-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione
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2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 13197605
3,11-dioxabicyclo[11.4.0]heptadeca-1(17),13,15-triene-2,12-dione
CID 102529625
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 153343499
(3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
CID 177420189
8,21,34,39,44,49-hexaoxaheptacyclo[48.4.0.02,7.09,14.015,20.022,27.028,33]tetrapentaconta-1(54),2,4,6,9,11,13,15,17,19,22,24,26,28,30,32,50,52-octadecaene
CID 91504873
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CID 90876800
oxepane-2,3-dione
CID 14401423
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one
CID 118725391
8-tert-butyl-3,4-dihydro-2H-1-benzoxepin-5-one
CID 15754865
(1Z,25Z)-9,18-dioxatetracyclo[24.3.1.03,8.019,24]triaconta-1,3,5,7,19,21,23,25-octaen-30-one
CID 177476472

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one?
The IUPAC name of 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one (CID 72551303) is 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one.
What is the SMILES notation for 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one?
The canonical SMILES for 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one is O=C1CCCCCCCOc2ccccc21.
What is the InChIKey of 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one?
The InChIKey is PWNIPQHINFUFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13-9-4-2-1-3-7-11-16-14-10-6-5-8-12(13)14/h5-6,8,10H,1-4,7,9,11H2.
What are the key properties of 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one?
2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one has a molecular weight of 218.30 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one is sourced from PubChem (CID 72551303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).