6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene

C28H32O4 — CID 172869288

IUPAC6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
SMILESCOc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CCc1ccccc1CC2
InChIInChI=1S/C28H32O4/c1-29-25-15-21-11-9-19-7-5-6-8-20(19)10-12-22-16-26(30-2)28(32-4)18-24(22)14-13-23(21)17-27(25)31-3/h5-8,15-18H,9-14H2,1-4H3
InChIKeyLDTXTPQEMQMXJA-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.39
Rot. Bonds4

About 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene

6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene (PubChem CID 172869288) has the molecular formula C28H32O4 and a molecular weight of 432.56 g/mol. Its IUPAC name is 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene.

Molecular Properties

Compound Name6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
PubChem CID172869288
Molecular FormulaC28H32O4
Molecular Weight432.56 g/mol
Exact Mass432.23
IUPAC Name6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
SMILESCOc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CCc1ccccc1CC2
InChIInChI=1S/C28H32O4/c1-29-25-15-21-11-9-19-7-5-6-8-20(19)10-12-22-16-26(30-2)28(32-4)18-24(22)14-13-23(21)17-27(25)31-3/h5-8,15-18H,9-14H2,1-4H3
InChIKeyLDTXTPQEMQMXJA-UHFFFAOYSA-N
XLogP5.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene?
The IUPAC name of 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene (CID 172869288) is 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene.
What is the SMILES notation for 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene?
The canonical SMILES for 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene is COc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CCc1ccccc1CC2.
What is the InChIKey of 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene?
The InChIKey is LDTXTPQEMQMXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O4/c1-29-25-15-21-11-9-19-7-5-6-8-20(19)10-12-22-16-26(30-2)28(32-4)18-24(22)14-13-23(21)17-27(25)31-3/h5-8,15-18H,9-14H2,1-4H3.
What are the key properties of 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene?
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene has a molecular weight of 432.56 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene is sourced from PubChem (CID 172869288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).