2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene

C22H32 — CID 100941388

IUPAC2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene
SMILESCC1(C)C2=CC(C=C2)C(C)(C)C(C)(C)C2=CC(C=C2)C1(C)C
InChIInChI=1S/C22H32/c1-19(2)15-9-10-17(13-15)21(5,6)22(7,8)18-12-11-16(14-18)20(19,3)4/h9-15,18H,1-8H3
InChIKeyIUJGAUWOTNRGTK-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.33
Rot. Bonds

About 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene

2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene (PubChem CID 100941388) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene.

Molecular Properties

Compound Name2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene
PubChem CID100941388
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene
SMILESCC1(C)C2=CC(C=C2)C(C)(C)C(C)(C)C2=CC(C=C2)C1(C)C
InChIInChI=1S/C22H32/c1-19(2)15-9-10-17(13-15)21(5,6)22(7,8)18-12-11-16(14-18)20(19,3)4/h9-15,18H,1-8H3
InChIKeyIUJGAUWOTNRGTK-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene?
The IUPAC name of 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene (CID 100941388) is 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene.
What is the SMILES notation for 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene?
The canonical SMILES for 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene is CC1(C)C2=CC(C=C2)C(C)(C)C(C)(C)C2=CC(C=C2)C1(C)C.
What is the InChIKey of 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene?
The InChIKey is IUJGAUWOTNRGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-19(2)15-9-10-17(13-15)21(5,6)22(7,8)18-12-11-16(14-18)20(19,3)4/h9-15,18H,1-8H3.
What are the key properties of 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene?
2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene has a molecular weight of 296.50 g/mol, XLogP of 6.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,8,8,9,9-octamethyltricyclo[8.2.1.14,7]tetradeca-1(13),5,7(14),11-tetraene is sourced from PubChem (CID 100941388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).