bicyclo[4.4.2]dodecane;cyclooctane

C20H38 — CID 158063107

IUPACbicyclo[4.4.2]dodecane;cyclooctane
SMILESC1CCC2CCCCC(C1)CC2.C1CCCCCCC1
InChIInChI=1S/C12H22.C8H16/c1-2-6-12-8-4-3-7-11(5-1)9-10-12;1-2-4-6-8-7-5-3-1/h11-12H,1-10H2;1-8H2
InChIKeyFKWVWNJALOLHGB-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.27
Rot. Bonds

About bicyclo[4.4.2]dodecane;cyclooctane

bicyclo[4.4.2]dodecane;cyclooctane (PubChem CID 158063107) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is bicyclo[4.4.2]dodecane;cyclooctane.

Molecular Properties

Compound Namebicyclo[4.4.2]dodecane;cyclooctane
PubChem CID158063107
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Namebicyclo[4.4.2]dodecane;cyclooctane
SMILESC1CCC2CCCCC(C1)CC2.C1CCCCCCC1
InChIInChI=1S/C12H22.C8H16/c1-2-6-12-8-4-3-7-11(5-1)9-10-12;1-2-4-6-8-7-5-3-1/h11-12H,1-10H2;1-8H2
InChIKeyFKWVWNJALOLHGB-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[112.2.2]octadecahectane
CID 91239791
bicyclo[5.5.3]pentadecane
CID 59938678
bicyclo[2.2.2]octane
CID 9235
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bis(bicyclo[4.2.1]nonane);bicyclo[2.2.2]octane;bicyclo[3.2.1]octane
CID 160674450
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.3]dodecane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[3.3.3]undecane;bis(bicyclo[4.3.2]undecane)
CID 158680471
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.3.2]undecane
CID 158767319
1-azabicyclo[8.8.8]hexacosane
CID 66583548
bicyclo[5.3.1]undecane
CID 14399147
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane
CID 158844254
1-azabicyclo[6.2.2]dodecane;methane
CID 157160878
3-azabicyclo[6.6.6]icosane
CID 91578749
1,2-dimethylcyclononadecane
CID 123549851

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.4.2]dodecane;cyclooctane?
The IUPAC name of bicyclo[4.4.2]dodecane;cyclooctane (CID 158063107) is bicyclo[4.4.2]dodecane;cyclooctane.
What is the SMILES notation for bicyclo[4.4.2]dodecane;cyclooctane?
The canonical SMILES for bicyclo[4.4.2]dodecane;cyclooctane is C1CCC2CCCCC(C1)CC2.C1CCCCCCC1.
What is the InChIKey of bicyclo[4.4.2]dodecane;cyclooctane?
The InChIKey is FKWVWNJALOLHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C8H16/c1-2-6-12-8-4-3-7-11(5-1)9-10-12;1-2-4-6-8-7-5-3-1/h11-12H,1-10H2;1-8H2.
What are the key properties of bicyclo[4.4.2]dodecane;cyclooctane?
bicyclo[4.4.2]dodecane;cyclooctane has a molecular weight of 278.52 g/mol, XLogP of 7.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.4.2]dodecane;cyclooctane is sourced from PubChem (CID 158063107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).