6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene

C22H12O2 — CID 145018031

IUPAC6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
SMILESc1cc2cc3cc4cc5cc6occc6cc5cc4cc3cc2o1
InChIInChI=1S/C22H12O2/c1-3-23-21-11-19-9-18-8-16-6-14-2-4-24-22(14)12-20(16)10-17(18)7-15(19)5-13(1)21/h1-12H
InChIKeyFCQOFODAUNSUAK-UHFFFAOYSA-N
MW308.34 g/mol
LogP6.64
Rot. Bonds

About 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene

6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene (PubChem CID 145018031) has the molecular formula C22H12O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene.

Molecular Properties

Compound Name6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
PubChem CID145018031
Molecular FormulaC22H12O2
Molecular Weight308.34 g/mol
Exact Mass308.08
IUPAC Name6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
SMILESc1cc2cc3cc4cc5cc6occc6cc5cc4cc3cc2o1
InChIInChI=1S/C22H12O2/c1-3-23-21-11-19-9-18-8-16-6-14-2-4-24-22(14)12-20(16)10-17(18)7-15(19)5-13(1)21/h1-12H
InChIKeyFCQOFODAUNSUAK-UHFFFAOYSA-N
XLogP6.64
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.34
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene with MolForge

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Related Compounds

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5-ethyl-6-methyl-1-benzofuran
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CID 19611664

Frequently Asked Questions

What is the IUPAC name of 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene?
The IUPAC name of 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene (CID 145018031) is 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene.
What is the SMILES notation for 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene?
The canonical SMILES for 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene is c1cc2cc3cc4cc5cc6occc6cc5cc4cc3cc2o1.
What is the InChIKey of 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene?
The InChIKey is FCQOFODAUNSUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O2/c1-3-23-21-11-19-9-18-8-16-6-14-2-4-24-22(14)12-20(16)10-17(18)7-15(19)5-13(1)21/h1-12H.
What are the key properties of 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene?
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene has a molecular weight of 308.34 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene is sourced from PubChem (CID 145018031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).