pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol

C24H24O — CID 142184197

IUPACpentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol
SMILESOc1cc2c(c3ccccc13)-c1ccccc1C1CCCCCCC21
InChIInChI=1S/C24H24O/c25-23-15-22-18-10-4-2-1-3-9-16(18)17-11-5-7-13-20(17)24(22)21-14-8-6-12-19(21)23/h5-8,11-16,18,25H,1-4,9-10H2
InChIKeyQYJDGCRRTHYSLA-UHFFFAOYSA-N
MW328.45 g/mol
LogP6.75
Rot. Bonds

About pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol

pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol (PubChem CID 142184197) has the molecular formula C24H24O and a molecular weight of 328.45 g/mol. Its IUPAC name is pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol.

Molecular Properties

Compound Namepentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol
PubChem CID142184197
Molecular FormulaC24H24O
Molecular Weight328.45 g/mol
Exact Mass328.18
IUPAC Namepentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol
SMILESOc1cc2c(c3ccccc13)-c1ccccc1C1CCCCCCC21
InChIInChI=1S/C24H24O/c25-23-15-22-18-10-4-2-1-3-9-16(18)17-11-5-7-13-20(17)24(22)21-14-8-6-12-19(21)23/h5-8,11-16,18,25H,1-4,9-10H2
InChIKeyQYJDGCRRTHYSLA-UHFFFAOYSA-N
XLogP6.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol?
The IUPAC name of pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol (CID 142184197) is pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol.
What is the SMILES notation for pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol?
The canonical SMILES for pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol is Oc1cc2c(c3ccccc13)-c1ccccc1C1CCCCCCC21.
What is the InChIKey of pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol?
The InChIKey is QYJDGCRRTHYSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c25-23-15-22-18-10-4-2-1-3-9-16(18)17-11-5-7-13-20(17)24(22)21-14-8-6-12-19(21)23/h5-8,11-16,18,25H,1-4,9-10H2.
What are the key properties of pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol?
pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol has a molecular weight of 328.45 g/mol, XLogP of 6.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol is sourced from PubChem (CID 142184197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).