4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene

C22H28 — CID 134983141

IUPAC4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
SMILESCc1c(C)c2c(C)c(C)c1Cc1c(C)c(C)c(c(C)c1C)C2
InChIInChI=1S/C22H28/c1-11-12(2)20-10-22-17(7)15(5)21(16(6)18(22)8)9-19(11)13(3)14(20)4/h9-10H2,1-8H3
InChIKeyGTPTYVBNNFVSHJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP5.65
Rot. Bonds

About 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene

4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene (PubChem CID 134983141) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene.

Molecular Properties

Compound Name4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
PubChem CID134983141
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
SMILESCc1c(C)c2c(C)c(C)c1Cc1c(C)c(C)c(c(C)c1C)C2
InChIInChI=1S/C22H28/c1-11-12(2)20-10-22-17(7)15(5)21(16(6)18(22)8)9-19(11)13(3)14(20)4/h9-10H2,1-8H3
InChIKeyGTPTYVBNNFVSHJ-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene?
The IUPAC name of 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene (CID 134983141) is 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene.
What is the SMILES notation for 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene?
The canonical SMILES for 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene is Cc1c(C)c2c(C)c(C)c1Cc1c(C)c(C)c(c(C)c1C)C2.
What is the InChIKey of 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene?
The InChIKey is GTPTYVBNNFVSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-11-12(2)20-10-22-17(7)15(5)21(16(6)18(22)8)9-19(11)13(3)14(20)4/h9-10H2,1-8H3.
What are the key properties of 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene?
4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene has a molecular weight of 292.47 g/mol, XLogP of 5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene is sourced from PubChem (CID 134983141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).