7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene

C22H12Cl2O2 — CID 163712895

IUPAC7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene
SMILESClC1=CC2Oc3cc4cc5oc6cc(Cl)ccc6c5cc4cc3C2C=C1
InChIInChI=1S/C22H12Cl2O2/c23-13-1-3-15-17-5-11-6-18-16-4-2-14(24)10-22(16)26-20(18)8-12(11)7-19(17)25-21(15)9-13/h1-10,15,21H
InChIKeyKKVGIBMGVIMJHZ-UHFFFAOYSA-N
MW379.24 g/mol
LogP6.93
Rot. Bonds

About 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene

7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene (PubChem CID 163712895) has the molecular formula C22H12Cl2O2 and a molecular weight of 379.24 g/mol. Its IUPAC name is 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene.

Molecular Properties

Compound Name7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene
PubChem CID163712895
Molecular FormulaC22H12Cl2O2
Molecular Weight379.24 g/mol
Exact Mass378.02
IUPAC Name7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene
SMILESClC1=CC2Oc3cc4cc5oc6cc(Cl)ccc6c5cc4cc3C2C=C1
InChIInChI=1S/C22H12Cl2O2/c23-13-1-3-15-17-5-11-6-18-16-4-2-14(24)10-22(16)26-20(18)8-12(11)7-19(17)25-21(15)9-13/h1-10,15,21H
InChIKeyKKVGIBMGVIMJHZ-UHFFFAOYSA-N
XLogP6.93
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.24
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene?
The IUPAC name of 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene (CID 163712895) is 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene.
What is the SMILES notation for 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene?
The canonical SMILES for 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene is ClC1=CC2Oc3cc4cc5oc6cc(Cl)ccc6c5cc4cc3C2C=C1.
What is the InChIKey of 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene?
The InChIKey is KKVGIBMGVIMJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2O2/c23-13-1-3-15-17-5-11-6-18-16-4-2-14(24)10-22(16)26-20(18)8-12(11)7-19(17)25-21(15)9-13/h1-10,15,21H.
What are the key properties of 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene?
7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene has a molecular weight of 379.24 g/mol, XLogP of 6.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene is sourced from PubChem (CID 163712895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).