2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene

C13H22 — CID 123828031

IUPAC2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
SMILESC1CC2CCC3CCCC3CC2C1
InChIInChI=1S/C13H22/c1-3-10-7-8-11-4-2-6-13(11)9-12(10)5-1/h10-13H,1-9H2
InChIKeySKCNXUYOSJSDDI-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.00
Rot. Bonds

About 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene

2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene (PubChem CID 123828031) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene.

Molecular Properties

Compound Name2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
PubChem CID123828031
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
SMILESC1CC2CCC3CCCC3CC2C1
InChIInChI=1S/C13H22/c1-3-10-7-8-11-4-2-6-13(11)9-12(10)5-1/h10-13H,1-9H2
InChIKeySKCNXUYOSJSDDI-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene with MolForge

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Related Compounds

4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
tricyclo[4.3.1.12,5]undecane
CID 13070377
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene?
The IUPAC name of 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene (CID 123828031) is 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene.
What is the SMILES notation for 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene?
The canonical SMILES for 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene is C1CC2CCC3CCCC3CC2C1.
What is the InChIKey of 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene?
The InChIKey is SKCNXUYOSJSDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-10-7-8-11-4-2-6-13(11)9-12(10)5-1/h10-13H,1-9H2.
What are the key properties of 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene?
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene has a molecular weight of 178.32 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene is sourced from PubChem (CID 123828031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).