2,2,3,3-tetramethylbicyclo[2.1.1]hexane

C10H18 — CID 123143747

IUPAC2,2,3,3-tetramethylbicyclo[2.1.1]hexane
SMILESCC1(C)C2CC(C2)C1(C)C
InChIInChI=1S/C10H18/c1-9(2)7-5-8(6-7)10(9,3)4/h7-8H,5-6H2,1-4H3
InChIKeyIKECRJPALZDZCO-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About 2,2,3,3-tetramethylbicyclo[2.1.1]hexane

2,2,3,3-tetramethylbicyclo[2.1.1]hexane (PubChem CID 123143747) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,2,3,3-tetramethylbicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2,2,3,3-tetramethylbicyclo[2.1.1]hexane
PubChem CID123143747
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,2,3,3-tetramethylbicyclo[2.1.1]hexane
SMILESCC1(C)C2CC(C2)C1(C)C
InChIInChI=1S/C10H18/c1-9(2)7-5-8(6-7)10(9,3)4/h7-8H,5-6H2,1-4H3
InChIKeyIKECRJPALZDZCO-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethyladamantane;ethane
CID 91483373
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane
CID 162243036
azane;1,2,2-trimethyladamantane;dihydrate
CID 174964765
1-(1-adamantyl)-2,2-dimethyladamantane
CID 151845126
4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
CID 72785049
2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
CID 22898119
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
CID 159301081
(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
CID 173165956
(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11008359
2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane
CID 121224533

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethylbicyclo[2.1.1]hexane?
The IUPAC name of 2,2,3,3-tetramethylbicyclo[2.1.1]hexane (CID 123143747) is 2,2,3,3-tetramethylbicyclo[2.1.1]hexane.
What is the SMILES notation for 2,2,3,3-tetramethylbicyclo[2.1.1]hexane?
The canonical SMILES for 2,2,3,3-tetramethylbicyclo[2.1.1]hexane is CC1(C)C2CC(C2)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethylbicyclo[2.1.1]hexane?
The InChIKey is IKECRJPALZDZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9(2)7-5-8(6-7)10(9,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethylbicyclo[2.1.1]hexane?
2,2,3,3-tetramethylbicyclo[2.1.1]hexane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethylbicyclo[2.1.1]hexane is sourced from PubChem (CID 123143747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).