cyclododecene;cyclohexylcyclohexane

C24H44 — CID 173310836

IUPACcyclododecene;cyclohexylcyclohexane
SMILESC1=CCCCCCCCCCC1.C1CCC(C2CCCCC2)CC1
InChIInChI=1S/2C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-8-10-12-11-9-7-5-3-1/h11-12H,1-10H2;1-2H,3-12H2
InChIKeyZPFFYYHMLXNDJK-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.60
Rot. Bonds1

About cyclododecene;cyclohexylcyclohexane

cyclododecene;cyclohexylcyclohexane (PubChem CID 173310836) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is cyclododecene;cyclohexylcyclohexane.

Molecular Properties

Compound Namecyclododecene;cyclohexylcyclohexane
PubChem CID173310836
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Namecyclododecene;cyclohexylcyclohexane
SMILESC1=CCCCCCCCCCC1.C1CCC(C2CCCCC2)CC1
InChIInChI=1S/2C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-8-10-12-11-9-7-5-3-1/h11-12H,1-10H2;1-2H,3-12H2
InChIKeyZPFFYYHMLXNDJK-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
(5E)-bicyclo[9.1.0]dodec-5-ene
CID 144561287
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
tricyclo[11.9.0.05,8]docosane
CID 123241919
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
cyclopentadeca-1,7-diene
CID 154173092
cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589

Frequently Asked Questions

What is the IUPAC name of cyclododecene;cyclohexylcyclohexane?
The IUPAC name of cyclododecene;cyclohexylcyclohexane (CID 173310836) is cyclododecene;cyclohexylcyclohexane.
What is the SMILES notation for cyclododecene;cyclohexylcyclohexane?
The canonical SMILES for cyclododecene;cyclohexylcyclohexane is C1=CCCCCCCCCCC1.C1CCC(C2CCCCC2)CC1.
What is the InChIKey of cyclododecene;cyclohexylcyclohexane?
The InChIKey is ZPFFYYHMLXNDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-8-10-12-11-9-7-5-3-1/h11-12H,1-10H2;1-2H,3-12H2.
What are the key properties of cyclododecene;cyclohexylcyclohexane?
cyclododecene;cyclohexylcyclohexane has a molecular weight of 332.62 g/mol, XLogP of 8.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecene;cyclohexylcyclohexane is sourced from PubChem (CID 173310836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).