7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene

C24H28O6 — CID 102373586

IUPAC7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene
SMILESCOc1c2c3c(c(OC)c1OC)C1CCC1c1c(OC)c(OC)c(OC)c(c1-3)CC2
InChIInChI=1S/C24H28O6/c1-25-19-13-9-10-14-16-15(13)17(21(27-3)23(19)29-5)11-7-8-12(11)18(16)22(28-4)24(30-6)20(14)26-2/h11-12H,7-10H2,1-6H3
InChIKeyHAUNHKMZMFTALP-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.48
Rot. Bonds6

About 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene

7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene (PubChem CID 102373586) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene.

Molecular Properties

Compound Name7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene
PubChem CID102373586
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene
SMILESCOc1c2c3c(c(OC)c1OC)C1CCC1c1c(OC)c(OC)c(OC)c(c1-3)CC2
InChIInChI=1S/C24H28O6/c1-25-19-13-9-10-14-16-15(13)17(21(27-3)23(19)29-5)11-7-8-12(11)18(16)22(28-4)24(30-6)20(14)26-2/h11-12H,7-10H2,1-6H3
InChIKeyHAUNHKMZMFTALP-UHFFFAOYSA-N
XLogP4.48
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene?
The IUPAC name of 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene (CID 102373586) is 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene.
What is the SMILES notation for 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene?
The canonical SMILES for 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene is COc1c2c3c(c(OC)c1OC)C1CCC1c1c(OC)c(OC)c(OC)c(c1-3)CC2.
What is the InChIKey of 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene?
The InChIKey is HAUNHKMZMFTALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O6/c1-25-19-13-9-10-14-16-15(13)17(21(27-3)23(19)29-5)11-7-8-12(11)18(16)22(28-4)24(30-6)20(14)26-2/h11-12H,7-10H2,1-6H3.
What are the key properties of 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene?
7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene has a molecular weight of 412.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene is sourced from PubChem (CID 102373586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).