1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane

C48H82 — CID 123286414

IUPAC1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
SMILESC1CCC(C2CCC(C3CCC(C4CCC(C5CCC(C6CCC(C7CCC(C8CCCCC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C48H82/c1-3-7-35(8-4-1)37-11-15-39(16-12-37)41-19-23-43(24-20-41)45-27-31-47(32-28-45)48-33-29-46(30-34-48)44-25-21-42(22-26-44)40-17-13-38(14-18-40)36-9-5-2-6-10-36/h35-48H,1-34H2
InChIKeyXANXDDSCJYLGBL-UHFFFAOYSA-N
MW659.18 g/mol
LogP14.99
Rot. Bonds7

About 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane

1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane (PubChem CID 123286414) has the molecular formula C48H82 and a molecular weight of 659.18 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
PubChem CID123286414
Molecular FormulaC48H82
Molecular Weight659.18 g/mol
Exact Mass658.64
IUPAC Name1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
SMILESC1CCC(C2CCC(C3CCC(C4CCC(C5CCC(C6CCC(C7CCC(C8CCCCC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C48H82/c1-3-7-35(8-4-1)37-11-15-39(16-12-37)41-19-23-43(24-20-41)45-27-31-47(32-28-45)48-33-29-46(30-34-48)44-25-21-42(22-26-44)40-17-13-38(14-18-40)36-9-5-2-6-10-36/h35-48H,1-34H2
InChIKeyXANXDDSCJYLGBL-UHFFFAOYSA-N
XLogP14.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.18
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane with MolForge

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Related Compounds

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
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
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
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911
CID 175877016
CID 175877016

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane (CID 123286414) is 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane is C1CCC(C2CCC(C3CCC(C4CCC(C5CCC(C6CCC(C7CCC(C8CCCCC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane?
The InChIKey is XANXDDSCJYLGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H82/c1-3-7-35(8-4-1)37-11-15-39(16-12-37)41-19-23-43(24-20-41)45-27-31-47(32-28-45)48-33-29-46(30-34-48)44-25-21-42(22-26-44)40-17-13-38(14-18-40)36-9-5-2-6-10-36/h35-48H,1-34H2.
What are the key properties of 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane?
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane has a molecular weight of 659.18 g/mol, XLogP of 14.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 123286414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).