2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene

C17H24 — CID 177102156

IUPAC2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
SMILESCc1cc2c3c(c1)C(C)(C)CC3(C)CC2(C)C
InChIInChI=1S/C17H24/c1-11-7-12-14-13(8-11)16(4,5)10-17(14,6)9-15(12,2)3/h7-8H,9-10H2,1-6H3
InChIKeyHXUWSRHSTCQZRI-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.62
Rot. Bonds

About 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene

2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene (PubChem CID 177102156) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene.

Molecular Properties

Compound Name2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
PubChem CID177102156
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
SMILESCc1cc2c3c(c1)C(C)(C)CC3(C)CC2(C)C
InChIInChI=1S/C17H24/c1-11-7-12-14-13(8-11)16(4,5)10-17(14,6)9-15(12,2)3/h7-8H,9-10H2,1-6H3
InChIKeyHXUWSRHSTCQZRI-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The IUPAC name of 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene (CID 177102156) is 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene.
What is the SMILES notation for 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The canonical SMILES for 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene is Cc1cc2c3c(c1)C(C)(C)CC3(C)CC2(C)C.
What is the InChIKey of 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The InChIKey is HXUWSRHSTCQZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-11-7-12-14-13(8-11)16(4,5)10-17(14,6)9-15(12,2)3/h7-8H,9-10H2,1-6H3.
What are the key properties of 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene has a molecular weight of 228.38 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene is sourced from PubChem (CID 177102156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).