3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene

C15H26 — CID 139255459

IUPAC3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
SMILESCC1CCC2CC3CC(C)(C)CC3C12C
InChIInChI=1S/C15H26/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h10-13H,5-9H2,1-4H3
InChIKeyQLXPKLNECNEJEQ-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.49
Rot. Bonds

About 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene

3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene (PubChem CID 139255459) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene.

Molecular Properties

Compound Name3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
PubChem CID139255459
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
SMILESCC1CCC2CC3CC(C)(C)CC3C12C
InChIInChI=1S/C15H26/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h10-13H,5-9H2,1-4H3
InChIKeyQLXPKLNECNEJEQ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene with MolForge

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Related Compounds

(3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene
CID 135039026
2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane
CID 19102269
(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine
CID 164833763
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
6-methyltricyclo[2.2.1.01,3]heptane
CID 123381875
1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 90723342
4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
CID 142004416
1-methyltricyclo[4.2.0.03,8]octane
CID 146747804
3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene
CID 22958862
4a,7,7-trimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
CID 176713715
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
CID 175971620

Frequently Asked Questions

What is the IUPAC name of 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene?
The IUPAC name of 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene (CID 139255459) is 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene.
What is the SMILES notation for 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene?
The canonical SMILES for 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene is CC1CCC2CC3CC(C)(C)CC3C12C.
What is the InChIKey of 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene?
The InChIKey is QLXPKLNECNEJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene?
3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene has a molecular weight of 206.37 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene is sourced from PubChem (CID 139255459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).