2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane

C12H24 — CID 90808288

IUPAC2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
SMILESCCC1CC(C(C)(C)C)C1(C)C
InChIInChI=1S/C12H24/c1-7-9-8-10(11(2,3)4)12(9,5)6/h9-10H,7-8H2,1-6H3
InChIKeyWWJQSBOTSFBSAA-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds1

About 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane

2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane (PubChem CID 90808288) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
PubChem CID90808288
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
SMILESCCC1CC(C(C)(C)C)C1(C)C
InChIInChI=1S/C12H24/c1-7-9-8-10(11(2,3)4)12(9,5)6/h9-10H,7-8H2,1-6H3
InChIKeyWWJQSBOTSFBSAA-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
2-ethyl-1,1,4-trimethylcyclobutane
CID 91404893
(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 162292361
2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 91239546
2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol
CID 72969601
3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81418144
3-ethyl-2,2-dimethylbicyclo[4.2.0]octane
CID 123145636
1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine
CID 90762745
(3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane
CID 173272946
(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143011520
2-[(1S,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide
CID 40517907
2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide
CID 40517906

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane?
The IUPAC name of 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane (CID 90808288) is 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane.
What is the SMILES notation for 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane?
The canonical SMILES for 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane is CCC1CC(C(C)(C)C)C1(C)C.
What is the InChIKey of 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane?
The InChIKey is WWJQSBOTSFBSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-7-9-8-10(11(2,3)4)12(9,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane?
2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane is sourced from PubChem (CID 90808288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).