tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene

C22H22 — CID 10731981

IUPACtetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene
SMILESc1cc2cc3cc(ccc4cc(cc1c4)CCCCCC3)c2
InChIInChI=1S/C22H22/c1-2-4-6-18-13-21-9-7-19-11-17(5-3-1)12-20(15-19)8-10-22(14-18)16-21/h7-16H,1-6H2/b9-7-,10-8-
InChIKeyFLQHDZQZEHLFSX-XOHWUJONSA-N
MW286.42 g/mol
LogP6.21
Rot. Bonds

About tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene

tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene (PubChem CID 10731981) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene.

Molecular Properties

Compound Nametetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene
PubChem CID10731981
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Nametetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene
SMILESc1cc2cc3cc(ccc4cc(cc1c4)CCCCCC3)c2
InChIInChI=1S/C22H22/c1-2-4-6-18-13-21-9-7-19-11-17(5-3-1)12-20(15-19)8-10-22(14-18)16-21/h7-16H,1-6H2/b9-7-,10-8-
InChIKeyFLQHDZQZEHLFSX-XOHWUJONSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene?
The IUPAC name of tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene (CID 10731981) is tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene.
What is the SMILES notation for tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene?
The canonical SMILES for tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene is c1cc2cc3cc(ccc4cc(cc1c4)CCCCCC3)c2.
What is the InChIKey of tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene?
The InChIKey is FLQHDZQZEHLFSX-XOHWUJONSA-N. The full InChI is InChI=1S/C22H22/c1-2-4-6-18-13-21-9-7-19-11-17(5-3-1)12-20(15-19)8-10-22(14-18)16-21/h7-16H,1-6H2/b9-7-,10-8-.
What are the key properties of tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene?
tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene has a molecular weight of 286.42 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene is sourced from PubChem (CID 10731981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).