2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene

C20H32 — CID 101014638

IUPAC2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene
SMILESCc1cc2c(C)c(c1C)C(C)(C)C(C)(C)C(C)(C)CC2
InChIInChI=1S/C20H32/c1-13-12-16-10-11-18(4,5)20(8,9)19(6,7)17(14(13)2)15(16)3/h12H,10-11H2,1-9H3
InChIKeyJADWNNYFWPKWAI-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.89
Rot. Bonds

About 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene

2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene (PubChem CID 101014638) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene.

Molecular Properties

Compound Name2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene
PubChem CID101014638
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene
SMILESCc1cc2c(C)c(c1C)C(C)(C)C(C)(C)C(C)(C)CC2
InChIInChI=1S/C20H32/c1-13-12-16-10-11-18(4,5)20(8,9)19(6,7)17(14(13)2)15(16)3/h12H,10-11H2,1-9H3
InChIKeyJADWNNYFWPKWAI-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene?
The IUPAC name of 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene (CID 101014638) is 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene.
What is the SMILES notation for 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene?
The canonical SMILES for 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene is Cc1cc2c(C)c(c1C)C(C)(C)C(C)(C)C(C)(C)CC2.
What is the InChIKey of 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene?
The InChIKey is JADWNNYFWPKWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-13-12-16-10-11-18(4,5)20(8,9)19(6,7)17(14(13)2)15(16)3/h12H,10-11H2,1-9H3.
What are the key properties of 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene?
2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene has a molecular weight of 272.48 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,9,10,11-nonamethylbicyclo[5.3.1]undeca-1(10),7(11),8-triene is sourced from PubChem (CID 101014638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).