2,5,7,9-tetramethylbicyclo[4.2.1]nonane

C13H24 — CID 123564718

IUPAC2,5,7,9-tetramethylbicyclo[4.2.1]nonane
SMILESCC1CCC(C)C2C(C)CC1C2C
InChIInChI=1S/C13H24/c1-8-5-6-9(2)13-10(3)7-12(8)11(13)4/h8-13H,5-7H2,1-4H3
InChIKeyWGDHROCQRASTBZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP3.96
Rot. Bonds

About 2,5,7,9-tetramethylbicyclo[4.2.1]nonane

2,5,7,9-tetramethylbicyclo[4.2.1]nonane (PubChem CID 123564718) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,5,7,9-tetramethylbicyclo[4.2.1]nonane.

Molecular Properties

Compound Name2,5,7,9-tetramethylbicyclo[4.2.1]nonane
PubChem CID123564718
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,5,7,9-tetramethylbicyclo[4.2.1]nonane
SMILESCC1CCC(C)C2C(C)CC1C2C
InChIInChI=1S/C13H24/c1-8-5-6-9(2)13-10(3)7-12(8)11(13)4/h8-13H,5-7H2,1-4H3
InChIKeyWGDHROCQRASTBZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane
CID 123855640
1,6,12,17-tetramethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 54386757
7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
3,6-dimethyltricyclo[3.3.0.02,8]octane
CID 123298522
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
(3S,3aR,4R,7S,7aR)-3,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
CID 166959719
3,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 20593718
2-methyl-3-(2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 91187285

Frequently Asked Questions

What is the IUPAC name of 2,5,7,9-tetramethylbicyclo[4.2.1]nonane?
The IUPAC name of 2,5,7,9-tetramethylbicyclo[4.2.1]nonane (CID 123564718) is 2,5,7,9-tetramethylbicyclo[4.2.1]nonane.
What is the SMILES notation for 2,5,7,9-tetramethylbicyclo[4.2.1]nonane?
The canonical SMILES for 2,5,7,9-tetramethylbicyclo[4.2.1]nonane is CC1CCC(C)C2C(C)CC1C2C.
What is the InChIKey of 2,5,7,9-tetramethylbicyclo[4.2.1]nonane?
The InChIKey is WGDHROCQRASTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-8-5-6-9(2)13-10(3)7-12(8)11(13)4/h8-13H,5-7H2,1-4H3.
What are the key properties of 2,5,7,9-tetramethylbicyclo[4.2.1]nonane?
2,5,7,9-tetramethylbicyclo[4.2.1]nonane has a molecular weight of 180.33 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,9-tetramethylbicyclo[4.2.1]nonane is sourced from PubChem (CID 123564718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).