3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene

C16H22 — CID 86201623

IUPAC3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESCc1c(C)c(C)c2c(c1C)C1CCC2CC1
InChIInChI=1S/C16H22/c1-9-10(2)12(4)16-14-7-5-13(6-8-14)15(16)11(9)3/h13-14H,5-8H2,1-4H3
InChIKeyJPWLZGABHCBBJG-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.68
Rot. Bonds

About 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene

3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 86201623) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID86201623
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESCc1c(C)c(C)c2c(c1C)C1CCC2CC1
InChIInChI=1S/C16H22/c1-9-10(2)12(4)16-14-7-5-13(6-8-14)15(16)11(9)3/h13-14H,5-8H2,1-4H3
InChIKeyJPWLZGABHCBBJG-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 86201623) is 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene is Cc1c(C)c(C)c2c(c1C)C1CCC2CC1.
What is the InChIKey of 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is JPWLZGABHCBBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-9-10(2)12(4)16-14-7-5-13(6-8-14)15(16)11(9)3/h13-14H,5-8H2,1-4H3.
What are the key properties of 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 214.35 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 86201623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).