14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C36H24O2 — CID 139199451

IUPAC14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc2c(c1)Oc1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccccc1-2
InChIInChI=1S/2C18H12O/c2*1-2-8-14-13(7-1)15-9-3-5-11-17(15)19-18-12-6-4-10-16(14)18/h2*1-12H
InChIKeyQQIXDOALXNFWLZ-UHFFFAOYSA-N
MW488.59 g/mol
LogP10.25
Rot. Bonds

About 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 139199451) has the molecular formula C36H24O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID139199451
Molecular FormulaC36H24O2
Molecular Weight488.59 g/mol
Exact Mass488.18
IUPAC Name14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc2c(c1)Oc1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccccc1-2
InChIInChI=1S/2C18H12O/c2*1-2-8-14-13(7-1)15-9-3-5-11-17(15)19-18-12-6-4-10-16(14)18/h2*1-12H
InChIKeyQQIXDOALXNFWLZ-UHFFFAOYSA-N
XLogP10.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 139199451) is 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is c1ccc2c(c1)Oc1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccccc1-2.
What is the InChIKey of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is QQIXDOALXNFWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12O/c2*1-2-8-14-13(7-1)15-9-3-5-11-17(15)19-18-12-6-4-10-16(14)18/h2*1-12H.
What are the key properties of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 488.59 g/mol, XLogP of 10.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 139199451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).