22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene

C22H14O — CID 15012

IUPAC22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESc1ccc2c(c1)-c1cc3ccc4ccccc4c3cc1C1OC21
InChIInChI=1S/C22H14O/c1-2-6-15-13(5-1)9-10-14-11-19-16-7-3-4-8-17(16)21-22(23-21)20(19)12-18(14)15/h1-12,21-22H
InChIKeyXMMYSZBPSFQXDL-UHFFFAOYSA-N
MW294.35 g/mol
LogP5.79
Rot. Bonds

About 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene

22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 15012) has the molecular formula C22H14O and a molecular weight of 294.35 g/mol. Its IUPAC name is 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene
PubChem CID15012
Molecular FormulaC22H14O
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESc1ccc2c(c1)-c1cc3ccc4ccccc4c3cc1C1OC21
InChIInChI=1S/C22H14O/c1-2-6-15-13(5-1)9-10-14-11-19-16-7-3-4-8-17(16)21-22(23-21)20(19)12-18(14)15/h1-12,21-22H
InChIKeyXMMYSZBPSFQXDL-UHFFFAOYSA-N
XLogP5.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene (CID 15012) is 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene is c1ccc2c(c1)-c1cc3ccc4ccccc4c3cc1C1OC21.
What is the InChIKey of 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is XMMYSZBPSFQXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O/c1-2-6-15-13(5-1)9-10-14-11-19-16-7-3-4-8-17(16)21-22(23-21)20(19)12-18(14)15/h1-12,21-22H.
What are the key properties of 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 294.35 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-oxahexacyclo[12.9.0.03,12.04,9.015,20.021,23]tricosa-1(14),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 15012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).