5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene

C26H28O5 — CID 102106088

IUPAC5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
SMILESCOc1ccc2c(c1)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2
InChIInChI=1S/C26H28O5/c1-27-22-7-6-16-8-18-12-23(28-2)25(30-4)14-20(18)10-21-15-26(31-5)24(29-3)13-19(21)9-17(16)11-22/h6-7,11-15H,8-10H2,1-5H3
InChIKeyKMJLRGYPDPMHLH-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.82
Rot. Bonds5

About 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene

5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene (PubChem CID 102106088) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene.

Molecular Properties

Compound Name5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
PubChem CID102106088
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Name5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
SMILESCOc1ccc2c(c1)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2
InChIInChI=1S/C26H28O5/c1-27-22-7-6-16-8-18-12-23(28-2)25(30-4)14-20(18)10-21-15-26(31-5)24(29-3)13-19(21)9-17(16)11-22/h6-7,11-15H,8-10H2,1-5H3
InChIKeyKMJLRGYPDPMHLH-UHFFFAOYSA-N
XLogP4.82
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene with MolForge

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Related Compounds

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CID 10101903
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CID 115511146
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CID 4140999
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CID 640900
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CID 71028115
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CID 67050058
6,13,19,20,26,27-hexamethoxypentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene-5,12-dicarbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene?
The IUPAC name of 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene (CID 102106088) is 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene.
What is the SMILES notation for 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene?
The canonical SMILES for 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene is COc1ccc2c(c1)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2.
What is the InChIKey of 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene?
The InChIKey is KMJLRGYPDPMHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O5/c1-27-22-7-6-16-8-18-12-23(28-2)25(30-4)14-20(18)10-21-15-26(31-5)24(29-3)13-19(21)9-17(16)11-22/h6-7,11-15H,8-10H2,1-5H3.
What are the key properties of 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene?
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene has a molecular weight of 420.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene is sourced from PubChem (CID 102106088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).