15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene

C26H32 — CID 14924238

IUPAC15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESCC(C)(C)CC1=C(CC(C)(C)C)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H32/c1-25(2,3)15-21-22(16-26(4,5)6)24-19-13-9-7-11-17(19)23(21)18-12-8-10-14-20(18)24/h7-14,23-24H,15-16H2,1-6H3
InChIKeySPPHYQAFYPHRBL-UHFFFAOYSA-N
MW344.54 g/mol
LogP7.45
Rot. Bonds2

About 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene

15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene (PubChem CID 14924238) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene.

Molecular Properties

Compound Name15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
PubChem CID14924238
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESCC(C)(C)CC1=C(CC(C)(C)C)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H32/c1-25(2,3)15-21-22(16-26(4,5)6)24-19-13-9-7-11-17(19)23(21)18-12-8-10-14-20(18)24/h7-14,23-24H,15-16H2,1-6H3
InChIKeySPPHYQAFYPHRBL-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.45
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 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The IUPAC name of 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene (CID 14924238) is 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene.
What is the SMILES notation for 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The canonical SMILES for 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene is CC(C)(C)CC1=C(CC(C)(C)C)C2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The InChIKey is SPPHYQAFYPHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32/c1-25(2,3)15-21-22(16-26(4,5)6)24-19-13-9-7-11-17(19)23(21)18-12-8-10-14-20(18)24/h7-14,23-24H,15-16H2,1-6H3.
What are the key properties of 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene has a molecular weight of 344.54 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-bis(2,2-dimethylpropyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene is sourced from PubChem (CID 14924238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).