4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene

C29H30O6 — CID 11605307

IUPAC4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene
SMILESCOc1cc2c(cc1OC)C13c4cc(OC)c(OC)cc4CC1(C2)Cc1cc(OC)c(OC)cc13
InChIInChI=1S/C29H30O6/c1-30-22-7-16-13-28-14-17-8-23(31-2)26(34-5)11-20(17)29(28,19(16)10-25(22)33-4)21-12-27(35-6)24(32-3)9-18(21)15-28/h7-12H,13-15H2,1-6H3
InChIKeyAMABVXWINLZXRR-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.73
Rot. Bonds6

About 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene

4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene (PubChem CID 11605307) has the molecular formula C29H30O6 and a molecular weight of 474.55 g/mol. Its IUPAC name is 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene.

Molecular Properties

Compound Name4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene
PubChem CID11605307
Molecular FormulaC29H30O6
Molecular Weight474.55 g/mol
Exact Mass474.20
IUPAC Name4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene
SMILESCOc1cc2c(cc1OC)C13c4cc(OC)c(OC)cc4CC1(C2)Cc1cc(OC)c(OC)cc13
InChIInChI=1S/C29H30O6/c1-30-22-7-16-13-28-14-17-8-23(31-2)26(34-5)11-20(17)29(28,19(16)10-25(22)33-4)21-12-27(35-6)24(32-3)9-18(21)15-28/h7-12H,13-15H2,1-6H3
InChIKeyAMABVXWINLZXRR-UHFFFAOYSA-N
XLogP4.73
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene?
The IUPAC name of 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene (CID 11605307) is 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene.
What is the SMILES notation for 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene?
The canonical SMILES for 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene is COc1cc2c(cc1OC)C13c4cc(OC)c(OC)cc4CC1(C2)Cc1cc(OC)c(OC)cc13.
What is the InChIKey of 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene?
The InChIKey is AMABVXWINLZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O6/c1-30-22-7-16-13-28-14-17-8-23(31-2)26(34-5)11-20(17)29(28,19(16)10-25(22)33-4)21-12-27(35-6)24(32-3)9-18(21)15-28/h7-12H,13-15H2,1-6H3.
What are the key properties of 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene?
4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene has a molecular weight of 474.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene is sourced from PubChem (CID 11605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).