tricyclo[11.9.0.05,8]docosane

C22H40 — CID 123241919

IUPACtricyclo[11.9.0.05,8]docosane
SMILESC1CCCCC2CCCCC3CCC3CCCC2CCCC1
InChIInChI=1S/C22H40/c1-2-4-6-11-19-13-8-9-14-21-17-18-22(21)16-10-15-20(19)12-7-5-3-1/h19-22H,1-18H2
InChIKeyTYOSKCSRMFRTJL-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.51
Rot. Bonds

About tricyclo[11.9.0.05,8]docosane

tricyclo[11.9.0.05,8]docosane (PubChem CID 123241919) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is tricyclo[11.9.0.05,8]docosane.

Molecular Properties

Compound Nametricyclo[11.9.0.05,8]docosane
PubChem CID123241919
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Nametricyclo[11.9.0.05,8]docosane
SMILESC1CCCCC2CCCCC3CCC3CCCC2CCCC1
InChIInChI=1S/C22H40/c1-2-4-6-11-19-13-8-9-14-21-17-18-22(21)16-10-15-20(19)12-7-5-3-1/h19-22H,1-18H2
InChIKeyTYOSKCSRMFRTJL-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
cyclononylcycloicosane
CID 123187062
azane;cyclohexylcyclohexane
CID 66583255
tricyclo[11.3.0.05,9]hexadecane
CID 154595560

Frequently Asked Questions

What is the IUPAC name of tricyclo[11.9.0.05,8]docosane?
The IUPAC name of tricyclo[11.9.0.05,8]docosane (CID 123241919) is tricyclo[11.9.0.05,8]docosane.
What is the SMILES notation for tricyclo[11.9.0.05,8]docosane?
The canonical SMILES for tricyclo[11.9.0.05,8]docosane is C1CCCCC2CCCCC3CCC3CCCC2CCCC1.
What is the InChIKey of tricyclo[11.9.0.05,8]docosane?
The InChIKey is TYOSKCSRMFRTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-2-4-6-11-19-13-8-9-14-21-17-18-22(21)16-10-15-20(19)12-7-5-3-1/h19-22H,1-18H2.
What are the key properties of tricyclo[11.9.0.05,8]docosane?
tricyclo[11.9.0.05,8]docosane has a molecular weight of 304.56 g/mol, XLogP of 7.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[11.9.0.05,8]docosane is sourced from PubChem (CID 123241919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).