4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene

C27H30O6 — CID 4140999

IUPAC4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
SMILESCOc1cc2c(cc1OC)Cc1ccc(OC)c(OC)c1Cc1cc(OC)c(OC)cc1C2
InChIInChI=1S/C27H30O6/c1-28-22-8-7-16-9-17-12-23(29-2)24(30-3)13-18(17)10-19-14-25(31-4)26(32-5)15-20(19)11-21(16)27(22)33-6/h7-8,12-15H,9-11H2,1-6H3
InChIKeySDWFZMQBLJZRFQ-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.82
Rot. Bonds6

About 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene

4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene (PubChem CID 4140999) has the molecular formula C27H30O6 and a molecular weight of 450.53 g/mol. Its IUPAC name is 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene.

Molecular Properties

Compound Name4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
PubChem CID4140999
Molecular FormulaC27H30O6
Molecular Weight450.53 g/mol
Exact Mass450.20
IUPAC Name4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
SMILESCOc1cc2c(cc1OC)Cc1ccc(OC)c(OC)c1Cc1cc(OC)c(OC)cc1C2
InChIInChI=1S/C27H30O6/c1-28-22-8-7-16-9-17-12-23(29-2)24(30-3)13-18(17)10-19-14-25(31-4)26(32-5)15-20(19)11-21(16)27(22)33-6/h7-8,12-15H,9-11H2,1-6H3
InChIKeySDWFZMQBLJZRFQ-UHFFFAOYSA-N
XLogP4.82
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene?
The IUPAC name of 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene (CID 4140999) is 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene.
What is the SMILES notation for 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene?
The canonical SMILES for 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene is COc1cc2c(cc1OC)Cc1ccc(OC)c(OC)c1Cc1cc(OC)c(OC)cc1C2.
What is the InChIKey of 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene?
The InChIKey is SDWFZMQBLJZRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O6/c1-28-22-8-7-16-9-17-12-23(29-2)24(30-3)13-18(17)10-19-14-25(31-4)26(32-5)15-20(19)11-21(16)27(22)33-6/h7-8,12-15H,9-11H2,1-6H3.
What are the key properties of 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene?
4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene has a molecular weight of 450.53 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene is sourced from PubChem (CID 4140999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).