heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene

C24H30 — CID 101440290

IUPACheptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene
SMILESC1CCC2=C(C1)C1C3C4=C(CCCC4)C3C3C4=C(CCCC4)C3C21
InChIInChI=1S/C24H30/c1-2-8-14-13(7-1)19-20(14)22-17-11-5-6-12-18(17)24(22)23-16-10-4-3-9-15(16)21(19)23/h19-24H,1-12H2
InChIKeyWRPRFUWBAVERIZ-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.35
Rot. Bonds

About heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene

heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene (PubChem CID 101440290) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene.

Molecular Properties

Compound Nameheptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene
PubChem CID101440290
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Nameheptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene
SMILESC1CCC2=C(C1)C1C3C4=C(CCCC4)C3C3C4=C(CCCC4)C3C21
InChIInChI=1S/C24H30/c1-2-8-14-13(7-1)19-20(14)22-17-11-5-6-12-18(17)24(22)23-16-10-4-3-9-15(16)21(19)23/h19-24H,1-12H2
InChIKeyWRPRFUWBAVERIZ-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene?
The IUPAC name of heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene (CID 101440290) is heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene.
What is the SMILES notation for heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene?
The canonical SMILES for heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene is C1CCC2=C(C1)C1C3C4=C(CCCC4)C3C3C4=C(CCCC4)C3C21.
What is the InChIKey of heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene?
The InChIKey is WRPRFUWBAVERIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-2-8-14-13(7-1)19-20(14)22-17-11-5-6-12-18(17)24(22)23-16-10-4-3-9-15(16)21(19)23/h19-24H,1-12H2.
What are the key properties of heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene?
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene has a molecular weight of 318.50 g/mol, XLogP of 6.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene is sourced from PubChem (CID 101440290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).