8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene

C32H16O2 — CID 100940950

IUPAC8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene
SMILESCOc1cc2c(cc1OC)=C=C=C=C=c1ccccc1=C=C=C=C=c1ccccc1=C=C=C=C=2
InChIInChI=1S/C32H16O2/c1-33-31-23-29-21-11-9-19-27-17-7-5-15-25(27)13-3-4-14-26-16-6-8-18-28(26)20-10-12-22-30(29)24-32(31)34-2/h5-8,15-18,23-24H,1-2H3
InChIKeyXOAVTUHFKMLNMV-UHFFFAOYSA-N
MW432.48 g/mol
LogP0.99
Rot. Bonds2

About 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene

8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene (PubChem CID 100940950) has the molecular formula C32H16O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene.

Molecular Properties

Compound Name8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene
PubChem CID100940950
Molecular FormulaC32H16O2
Molecular Weight432.48 g/mol
Exact Mass432.12
IUPAC Name8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene
SMILESCOc1cc2c(cc1OC)=C=C=C=C=c1ccccc1=C=C=C=C=c1ccccc1=C=C=C=C=2
InChIInChI=1S/C32H16O2/c1-33-31-23-29-21-11-9-19-27-17-7-5-15-25(27)13-3-4-14-26-16-6-8-18-28(26)20-10-12-22-30(29)24-32(31)34-2/h5-8,15-18,23-24H,1-2H3
InChIKeyXOAVTUHFKMLNMV-UHFFFAOYSA-N
XLogP0.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene?
The IUPAC name of 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene (CID 100940950) is 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene.
What is the SMILES notation for 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene?
The canonical SMILES for 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene is COc1cc2c(cc1OC)=C=C=C=C=c1ccccc1=C=C=C=C=c1ccccc1=C=C=C=C=2.
What is the InChIKey of 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene?
The InChIKey is XOAVTUHFKMLNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16O2/c1-33-31-23-29-21-11-9-19-27-17-7-5-15-25(27)13-3-4-14-26-16-6-8-18-28(26)20-10-12-22-30(29)24-32(31)34-2/h5-8,15-18,23-24H,1-2H3.
What are the key properties of 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene?
8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene has a molecular weight of 432.48 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxytetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene is sourced from PubChem (CID 100940950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).