5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene

C23H22 — CID 91375182

IUPAC5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene
SMILESCC1=CCCc2cc3c(cc21)-c1cc2c(cc1C3)CCC=C2C
InChIInChI=1S/C23H22/c1-14-5-3-7-16-9-18-11-19-10-17-8-4-6-15(2)21(17)13-23(19)22(18)12-20(14)16/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3
InChIKeyCKPCWAOKEYYUMX-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.96
Rot. Bonds

About 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene

5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene (PubChem CID 91375182) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene.

Molecular Properties

Compound Name5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene
PubChem CID91375182
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene
SMILESCC1=CCCc2cc3c(cc21)-c1cc2c(cc1C3)CCC=C2C
InChIInChI=1S/C23H22/c1-14-5-3-7-16-9-18-11-19-10-17-8-4-6-15(2)21(17)13-23(19)22(18)12-20(14)16/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3
InChIKeyCKPCWAOKEYYUMX-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene?
The IUPAC name of 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene (CID 91375182) is 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene.
What is the SMILES notation for 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene?
The canonical SMILES for 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene is CC1=CCCc2cc3c(cc21)-c1cc2c(cc1C3)CCC=C2C.
What is the InChIKey of 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene?
The InChIKey is CKPCWAOKEYYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-14-5-3-7-16-9-18-11-19-10-17-8-4-6-15(2)21(17)13-23(19)22(18)12-20(14)16/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3.
What are the key properties of 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene?
5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene has a molecular weight of 298.43 g/mol, XLogP of 5.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene is sourced from PubChem (CID 91375182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).