17-oxapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione|17-oxapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione|17-o...

General Information

Structure

Molecular Formula

C₁₈H₁₂O₃

Molecular Mass

276.28608

Exact Mass

276.07864424

Charge

InChI

InChI=1S/C18H12O3/c19-17-15-13-9-5-1-2-6-10(9)14(16(15)18(20)21-17)12-8-4-3-7-11(12)13/h1-8,13-16H

InChIKey

PSKVQQJLLWSBFV-UHFFFAOYSA-N

Canonic Smiles

O=C1OC(=O)C2C1C1c3c(C2c2c1cccc2)cccc3

Isomeric Smiles

C12c3c(C(c4c1cccc4)C1C2C(=O)OC1=O)cccc3

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.8735614

LogD (pH = 7.4)

2.8735614

Log P

2.8735614

Molar Refractivity

76.0438

Polarizability

29.610243

Polar Surface Area

43.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

17-oxapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione 17-oxapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

IUPAC Traditional name

17-oxapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione 17-oxapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Synonyms

17-oxapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione17-Oxapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~] nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD00152427

PubChem SID

162062577

PubChem CID

138503

Registration numbers

Properties

Safety Information

Storage Warning