5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene

C24H18O6 — CID 20661294

IUPAC5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
SMILESc1c2c(cc3c1c1cc4c(cc1c1cc5c(cc31)OCCO5)OCCO4)OCCO2
InChIInChI=1S/C24H18O6/c1-2-26-20-8-14-13(7-19(20)25-1)15-9-21-23(29-4-3-27-21)11-17(15)18-12-24-22(10-16(14)18)28-5-6-30-24/h7-12H,1-6H2
InChIKeyHWUZNXNSPJMRMN-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.46
Rot. Bonds

About 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene

5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene (PubChem CID 20661294) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene.

Molecular Properties

Compound Name5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
PubChem CID20661294
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
SMILESc1c2c(cc3c1c1cc4c(cc1c1cc5c(cc31)OCCO5)OCCO4)OCCO2
InChIInChI=1S/C24H18O6/c1-2-26-20-8-14-13(7-19(20)25-1)15-9-21-23(29-4-3-27-21)11-17(15)18-12-24-22(10-16(14)18)28-5-6-30-24/h7-12H,1-6H2
InChIKeyHWUZNXNSPJMRMN-UHFFFAOYSA-N
XLogP4.46
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene?
The IUPAC name of 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene (CID 20661294) is 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene.
What is the SMILES notation for 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene?
The canonical SMILES for 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene is c1c2c(cc3c1c1cc4c(cc1c1cc5c(cc31)OCCO5)OCCO4)OCCO2.
What is the InChIKey of 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene?
The InChIKey is HWUZNXNSPJMRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-2-26-20-8-14-13(7-19(20)25-1)15-9-21-23(29-4-3-27-21)11-17(15)18-12-24-22(10-16(14)18)28-5-6-30-24/h7-12H,1-6H2.
What are the key properties of 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene?
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene has a molecular weight of 402.40 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene is sourced from PubChem (CID 20661294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).