pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene

C20H20 — CID 102574244

IUPACpentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene
SMILESc1ccc2c(c1)CC1CCCC3Cc4ccccc4C213
InChIInChI=1S/C20H20/c1-3-10-18-14(6-1)12-16-8-5-9-17-13-15-7-2-4-11-19(15)20(16,17)18/h1-4,6-7,10-11,16-17H,5,8-9,12-13H2
InChIKeyRZXPHADGGPDGLN-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.50
Rot. Bonds

About pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene

pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene (PubChem CID 102574244) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene.

Molecular Properties

Compound Namepentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene
PubChem CID102574244
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Namepentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene
SMILESc1ccc2c(c1)CC1CCCC3Cc4ccccc4C213
InChIInChI=1S/C20H20/c1-3-10-18-14(6-1)12-16-8-5-9-17-13-15-7-2-4-11-19(15)20(16,17)18/h1-4,6-7,10-11,16-17H,5,8-9,12-13H2
InChIKeyRZXPHADGGPDGLN-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene?
The IUPAC name of pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene (CID 102574244) is pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene.
What is the SMILES notation for pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene?
The canonical SMILES for pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene is c1ccc2c(c1)CC1CCCC3Cc4ccccc4C213.
What is the InChIKey of pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene?
The InChIKey is RZXPHADGGPDGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-3-10-18-14(6-1)12-16-8-5-9-17-13-15-7-2-4-11-19(15)20(16,17)18/h1-4,6-7,10-11,16-17H,5,8-9,12-13H2.
What are the key properties of pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene?
pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene has a molecular weight of 260.38 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene is sourced from PubChem (CID 102574244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).