tricyclo[5.5.0.02,6]dodecane

C12H20 — CID 578151

IUPACtricyclo[5.5.0.02,6]dodecane
SMILESC1CCC2C(CC1)C1CCCC21
InChIInChI=1S/C12H20/c1-2-5-9-10(6-3-1)12-8-4-7-11(9)12/h9-12H,1-8H2
InChIKeyLLKLNZDKNIINBS-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.61
Rot. Bonds

About tricyclo[5.5.0.02,6]dodecane

tricyclo[5.5.0.02,6]dodecane (PubChem CID 578151) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is tricyclo[5.5.0.02,6]dodecane.

Molecular Properties

Compound Nametricyclo[5.5.0.02,6]dodecane
PubChem CID578151
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nametricyclo[5.5.0.02,6]dodecane
SMILESC1CCC2C(CC1)C1CCCC21
InChIInChI=1S/C12H20/c1-2-5-9-10(6-3-1)12-8-4-7-11(9)12/h9-12H,1-8H2
InChIKeyLLKLNZDKNIINBS-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
tricyclo[5.4.0.08,11]undecane
CID 176586412
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
bicyclo[6.1.0]nonan-9-amine
CID 55288804
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
bicyclo[5.5.3]pentadecane
CID 59938678
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.5.0.02,6]dodecane?
The IUPAC name of tricyclo[5.5.0.02,6]dodecane (CID 578151) is tricyclo[5.5.0.02,6]dodecane.
What is the SMILES notation for tricyclo[5.5.0.02,6]dodecane?
The canonical SMILES for tricyclo[5.5.0.02,6]dodecane is C1CCC2C(CC1)C1CCCC21.
What is the InChIKey of tricyclo[5.5.0.02,6]dodecane?
The InChIKey is LLKLNZDKNIINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-5-9-10(6-3-1)12-8-4-7-11(9)12/h9-12H,1-8H2.
What are the key properties of tricyclo[5.5.0.02,6]dodecane?
tricyclo[5.5.0.02,6]dodecane has a molecular weight of 164.29 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.5.0.02,6]dodecane is sourced from PubChem (CID 578151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).