16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene

C24H26 — CID 11483855

IUPAC16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene
SMILESCC(C)(C)C12CC34CC1CC3(C2)c1ccccc1-c1ccccc14
InChIInChI=1S/C24H26/c1-21(2,3)24-14-22-12-16(24)13-23(22,15-24)20-11-7-5-9-18(20)17-8-4-6-10-19(17)22/h4-11,16H,12-15H2,1-3H3
InChIKeyHWDLHXGWVRGLKE-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.09
Rot. Bonds

About 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene

16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene (PubChem CID 11483855) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene.

Molecular Properties

Compound Name16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene
PubChem CID11483855
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene
SMILESCC(C)(C)C12CC34CC1CC3(C2)c1ccccc1-c1ccccc14
InChIInChI=1S/C24H26/c1-21(2,3)24-14-22-12-16(24)13-23(22,15-24)20-11-7-5-9-18(20)17-8-4-6-10-19(17)22/h4-11,16H,12-15H2,1-3H3
InChIKeyHWDLHXGWVRGLKE-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene?
The IUPAC name of 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene (CID 11483855) is 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene.
What is the SMILES notation for 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene?
The canonical SMILES for 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene is CC(C)(C)C12CC34CC1CC3(C2)c1ccccc1-c1ccccc14.
What is the InChIKey of 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene?
The InChIKey is HWDLHXGWVRGLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-21(2,3)24-14-22-12-16(24)13-23(22,15-24)20-11-7-5-9-18(20)17-8-4-6-10-19(17)22/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene?
16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene has a molecular weight of 314.47 g/mol, XLogP of 6.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene is sourced from PubChem (CID 11483855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).