pentacyclo[11.9.0.03,11.05,9.015,21]docosane

C22H36 — CID 132819456

IUPACpentacyclo[11.9.0.03,11.05,9.015,21]docosane
SMILESC1CCC2CC3CC4CC5CCCC5CC4CC3CC2CC1
InChIInChI=1S/C22H36/c1-2-5-15-9-19-13-21-11-17-7-4-8-18(17)12-22(21)14-20(19)10-16(15)6-3-1/h15-22H,1-14H2
InChIKeyJKXIXYHKYPEBJW-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.45
Rot. Bonds

About pentacyclo[11.9.0.03,11.05,9.015,21]docosane

pentacyclo[11.9.0.03,11.05,9.015,21]docosane (PubChem CID 132819456) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is pentacyclo[11.9.0.03,11.05,9.015,21]docosane.

Molecular Properties

Compound Namepentacyclo[11.9.0.03,11.05,9.015,21]docosane
PubChem CID132819456
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Namepentacyclo[11.9.0.03,11.05,9.015,21]docosane
SMILESC1CCC2CC3CC4CC5CCCC5CC4CC3CC2CC1
InChIInChI=1S/C22H36/c1-2-5-15-9-19-13-21-11-17-7-4-8-18(17)12-22(21)14-20(19)10-16(15)6-3-1/h15-22H,1-14H2
InChIKeyJKXIXYHKYPEBJW-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
tricyclo[4.3.1.12,5]undecane
CID 13070377
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
CID 159099716
CID 159099716
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
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
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261

Frequently Asked Questions

What is the IUPAC name of pentacyclo[11.9.0.03,11.05,9.015,21]docosane?
The IUPAC name of pentacyclo[11.9.0.03,11.05,9.015,21]docosane (CID 132819456) is pentacyclo[11.9.0.03,11.05,9.015,21]docosane.
What is the SMILES notation for pentacyclo[11.9.0.03,11.05,9.015,21]docosane?
The canonical SMILES for pentacyclo[11.9.0.03,11.05,9.015,21]docosane is C1CCC2CC3CC4CC5CCCC5CC4CC3CC2CC1.
What is the InChIKey of pentacyclo[11.9.0.03,11.05,9.015,21]docosane?
The InChIKey is JKXIXYHKYPEBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-2-5-15-9-19-13-21-11-17-7-4-8-18(17)12-22(21)14-20(19)10-16(15)6-3-1/h15-22H,1-14H2.
What are the key properties of pentacyclo[11.9.0.03,11.05,9.015,21]docosane?
pentacyclo[11.9.0.03,11.05,9.015,21]docosane has a molecular weight of 300.53 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[11.9.0.03,11.05,9.015,21]docosane is sourced from PubChem (CID 132819456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).