cyclononylcycloicosane

C29H56 — CID 123187062

IUPACcyclononylcycloicosane
SMILESC1CCCCCCCCCC(C2CCCCCCCC2)CCCCCCCCC1
InChIInChI=1S/C29H56/c1-2-4-6-8-10-12-16-20-24-28(25-21-17-13-11-9-7-5-3-1)29-26-22-18-14-15-19-23-27-29/h28-29H,1-27H2
InChIKeyVQLXQFAUDWLQHB-UHFFFAOYSA-N
MW404.77 g/mol
LogP10.78
Rot. Bonds1

About cyclononylcycloicosane

cyclononylcycloicosane (PubChem CID 123187062) has the molecular formula C29H56 and a molecular weight of 404.77 g/mol. Its IUPAC name is cyclononylcycloicosane.

Molecular Properties

Compound Namecyclononylcycloicosane
PubChem CID123187062
Molecular FormulaC29H56
Molecular Weight404.77 g/mol
Exact Mass404.44
IUPAC Namecyclononylcycloicosane
SMILESC1CCCCCCCCCC(C2CCCCCCCC2)CCCCCCCCC1
InChIInChI=1S/C29H56/c1-2-4-6-8-10-12-16-20-24-28(25-21-17-13-11-9-7-5-3-1)29-26-22-18-14-15-19-23-27-29/h28-29H,1-27H2
InChIKeyVQLXQFAUDWLQHB-UHFFFAOYSA-N
XLogP10.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.77
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
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
azane;cyclohexylcyclohexane
CID 66583255
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
tricyclo[11.9.0.05,8]docosane
CID 123241919
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
cyclopentylcyclopentane;phosphane
CID 174792657
CID 175877016
CID 175877016

Frequently Asked Questions

What is the IUPAC name of cyclononylcycloicosane?
The IUPAC name of cyclononylcycloicosane (CID 123187062) is cyclononylcycloicosane.
What is the SMILES notation for cyclononylcycloicosane?
The canonical SMILES for cyclononylcycloicosane is C1CCCCCCCCCC(C2CCCCCCCC2)CCCCCCCCC1.
What is the InChIKey of cyclononylcycloicosane?
The InChIKey is VQLXQFAUDWLQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56/c1-2-4-6-8-10-12-16-20-24-28(25-21-17-13-11-9-7-5-3-1)29-26-22-18-14-15-19-23-27-29/h28-29H,1-27H2.
What are the key properties of cyclononylcycloicosane?
cyclononylcycloicosane has a molecular weight of 404.77 g/mol, XLogP of 10.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononylcycloicosane is sourced from PubChem (CID 123187062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).