cyclohexylcycloheptane

C13H24 — CID 524589

IUPACcyclohexylcycloheptane
SMILESC1CCCC(C2CCCCC2)CC1
InChIInChI=1S/C13H24/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h12-13H,1-11H2
InChIKeyGIFFMLIGKIVECO-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.54
Rot. Bonds1

About cyclohexylcycloheptane

cyclohexylcycloheptane (PubChem CID 524589) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is cyclohexylcycloheptane.

Molecular Properties

Compound Namecyclohexylcycloheptane
PubChem CID524589
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Namecyclohexylcycloheptane
SMILESC1CCCC(C2CCCCC2)CC1
InChIInChI=1S/C13H24/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h12-13H,1-11H2
InChIKeyGIFFMLIGKIVECO-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.54
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
cyclononylcycloicosane
CID 123187062
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
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
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
CID 175877016
CID 175877016
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911

Frequently Asked Questions

What is the IUPAC name of cyclohexylcycloheptane?
The IUPAC name of cyclohexylcycloheptane (CID 524589) is cyclohexylcycloheptane.
What is the SMILES notation for cyclohexylcycloheptane?
The canonical SMILES for cyclohexylcycloheptane is C1CCCC(C2CCCCC2)CC1.
What is the InChIKey of cyclohexylcycloheptane?
The InChIKey is GIFFMLIGKIVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h12-13H,1-11H2.
What are the key properties of cyclohexylcycloheptane?
cyclohexylcycloheptane has a molecular weight of 180.33 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcycloheptane is sourced from PubChem (CID 524589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).