4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane

C13H24 — CID 162524647

IUPAC4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane
SMILESCC(C)(C)C12CCC1(C)C(C)(C)C2
InChIInChI=1S/C13H24/c1-10(2,3)13-8-7-12(13,6)11(4,5)9-13/h7-9H2,1-6H3
InChIKeyFJVQNJBJKRTENA-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds

About 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane

4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane (PubChem CID 162524647) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane
PubChem CID162524647
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane
SMILESCC(C)(C)C12CCC1(C)C(C)(C)C2
InChIInChI=1S/C13H24/c1-10(2,3)13-8-7-12(13,6)11(4,5)9-13/h7-9H2,1-6H3
InChIKeyFJVQNJBJKRTENA-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane
CID 164958801
1-tert-butyl-3-fluorobicyclo[1.1.0]butane
CID 170193455
5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane
CID 163918027
1-tert-butyl-5,5-dimethylbicyclo[2.1.1]hexane
CID 166031080
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
CID 12600021
2,2,6-trimethylspiro[2.5]octane
CID 149026229
1,5-ditert-butyl-2,2,4,4-tetramethyl-6,7-dithiabicyclo[3.1.1]heptane
CID 15307557
8-(1-tert-butylcyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176778432
1-tert-butyl-1-methylcyclopentane
CID 21351462
1,4-ditert-butylbicyclo[2.2.2]octane;1,3-ditert-butylbicyclo[1.1.1]pentane
CID 163948572
3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane
CID 162285091

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane?
The IUPAC name of 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane (CID 162524647) is 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane.
What is the SMILES notation for 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane?
The canonical SMILES for 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane is CC(C)(C)C12CCC1(C)C(C)(C)C2.
What is the InChIKey of 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane?
The InChIKey is FJVQNJBJKRTENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2,3)13-8-7-12(13,6)11(4,5)9-13/h7-9H2,1-6H3.
What are the key properties of 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane?
4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane is sourced from PubChem (CID 162524647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).