8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene

C24H24 — CID 90184840

IUPAC8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
SMILESCc1ccc2c(c1)C=C1CCC3=Cc4cc(C)ccc4C3CCC12
InChIInChI=1S/C24H24/c1-15-3-7-23-19(11-15)13-17-5-6-18-14-20-12-16(2)4-8-24(20)22(18)10-9-21(17)23/h3-4,7-8,11-14,21-22H,5-6,9-10H2,1-2H3
InChIKeyGDRLOFLTIIJECX-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.54
Rot. Bonds

About 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene

8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene (PubChem CID 90184840) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene.

Molecular Properties

Compound Name8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
PubChem CID90184840
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
SMILESCc1ccc2c(c1)C=C1CCC3=Cc4cc(C)ccc4C3CCC12
InChIInChI=1S/C24H24/c1-15-3-7-23-19(11-15)13-17-5-6-18-14-20-12-16(2)4-8-24(20)22(18)10-9-21(17)23/h3-4,7-8,11-14,21-22H,5-6,9-10H2,1-2H3
InChIKeyGDRLOFLTIIJECX-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene?
The IUPAC name of 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene (CID 90184840) is 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene.
What is the SMILES notation for 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene?
The canonical SMILES for 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene is Cc1ccc2c(c1)C=C1CCC3=Cc4cc(C)ccc4C3CCC12.
What is the InChIKey of 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene?
The InChIKey is GDRLOFLTIIJECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-15-3-7-23-19(11-15)13-17-5-6-18-14-20-12-16(2)4-8-24(20)22(18)10-9-21(17)23/h3-4,7-8,11-14,21-22H,5-6,9-10H2,1-2H3.
What are the key properties of 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene?
8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene has a molecular weight of 312.46 g/mol, XLogP of 6.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene is sourced from PubChem (CID 90184840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).