(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene

C14H26 — CID 14112261

IUPAC(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
SMILESC1CCCC[C@@H]2CCC[C@H]2CCCC1
InChIInChI=1S/C14H26/c1-2-4-6-9-13-11-8-12-14(13)10-7-5-3-1/h13-14H,1-12H2/t13-,14-/m1/s1
InChIKeyUCBJNXHLXMEPMQ-ZIAGYGMSSA-N
MW194.36 g/mol
LogP4.93
Rot. Bonds

About (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene

(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene (PubChem CID 14112261) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene.

Molecular Properties

Compound Name(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
PubChem CID14112261
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
SMILESC1CCCC[C@@H]2CCC[C@H]2CCCC1
InChIInChI=1S/C14H26/c1-2-4-6-9-13-11-8-12-14(13)10-7-5-3-1/h13-14H,1-12H2/t13-,14-/m1/s1
InChIKeyUCBJNXHLXMEPMQ-ZIAGYGMSSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene with MolForge

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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
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
azane;cyclohexylcyclohexane
CID 66583255
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
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 (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene?
The IUPAC name of (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene (CID 14112261) is (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene.
What is the SMILES notation for (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene?
The canonical SMILES for (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene is C1CCCC[C@@H]2CCC[C@H]2CCCC1.
What is the InChIKey of (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene?
The InChIKey is UCBJNXHLXMEPMQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H26/c1-2-4-6-9-13-11-8-12-14(13)10-7-5-3-1/h13-14H,1-12H2/t13-,14-/m1/s1.
What are the key properties of (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene?
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene has a molecular weight of 194.36 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene is sourced from PubChem (CID 14112261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).