cyclohexylcyclohexane;propa-1,2-diene

C15H26 — CID 175423188

IUPACcyclohexylcyclohexane;propa-1,2-diene
SMILESC1CCC(C2CCCCC2)CC1.C=C=C
InChIInChI=1S/C12H22.C3H4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h11-12H,1-10H2;1-2H2
InChIKeyVAYFMXGYGGCVID-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.10
Rot. Bonds1

About cyclohexylcyclohexane;propa-1,2-diene

cyclohexylcyclohexane;propa-1,2-diene (PubChem CID 175423188) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is cyclohexylcyclohexane;propa-1,2-diene.

Molecular Properties

Compound Namecyclohexylcyclohexane;propa-1,2-diene
PubChem CID175423188
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Namecyclohexylcyclohexane;propa-1,2-diene
SMILESC1CCC(C2CCCCC2)CC1.C=C=C
InChIInChI=1S/C12H22.C3H4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h11-12H,1-10H2;1-2H2
InChIKeyVAYFMXGYGGCVID-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.10
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
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
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
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
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911

Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane;propa-1,2-diene?
The IUPAC name of cyclohexylcyclohexane;propa-1,2-diene (CID 175423188) is cyclohexylcyclohexane;propa-1,2-diene.
What is the SMILES notation for cyclohexylcyclohexane;propa-1,2-diene?
The canonical SMILES for cyclohexylcyclohexane;propa-1,2-diene is C1CCC(C2CCCCC2)CC1.C=C=C.
What is the InChIKey of cyclohexylcyclohexane;propa-1,2-diene?
The InChIKey is VAYFMXGYGGCVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C3H4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h11-12H,1-10H2;1-2H2.
What are the key properties of cyclohexylcyclohexane;propa-1,2-diene?
cyclohexylcyclohexane;propa-1,2-diene has a molecular weight of 206.37 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane;propa-1,2-diene is sourced from PubChem (CID 175423188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).