1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene

C12H22 — CID 58552309

IUPAC1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
SMILESC1CCCC2CCCC2CCC1
InChIInChI=1S/C12H22/c1-2-4-7-11-9-6-10-12(11)8-5-3-1/h11-12H,1-10H2
InChIKeyJRKFEMKMBGTGOG-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.15
Rot. Bonds

About 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene

1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene (PubChem CID 58552309) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
PubChem CID58552309
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
SMILESC1CCCC2CCCC2CCC1
InChIInChI=1S/C12H22/c1-2-4-7-11-9-6-10-12(11)8-5-3-1/h11-12H,1-10H2
InChIKeyJRKFEMKMBGTGOG-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
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
(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-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
azane;cyclohexylcyclohexane
CID 66583255
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene?
The IUPAC name of 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene (CID 58552309) is 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene.
What is the SMILES notation for 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene?
The canonical SMILES for 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene is C1CCCC2CCCC2CCC1.
What is the InChIKey of 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene?
The InChIKey is JRKFEMKMBGTGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-2-4-7-11-9-6-10-12(11)8-5-3-1/h11-12H,1-10H2.
What are the key properties of 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene?
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene has a molecular weight of 166.31 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene is sourced from PubChem (CID 58552309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).