1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane

C12H24 — CID 123179974

IUPAC1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane
SMILESCCC(C)(C)CC1CC(C)C1C
InChIInChI=1S/C12H24/c1-6-12(4,5)8-11-7-9(2)10(11)3/h9-11H,6-8H2,1-5H3
InChIKeyCKOJZYQHPHTDQV-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane

1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane (PubChem CID 123179974) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane
PubChem CID123179974
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane
SMILESCCC(C)(C)CC1CC(C)C1C
InChIInChI=1S/C12H24/c1-6-12(4,5)8-11-7-9(2)10(11)3/h9-11H,6-8H2,1-5H3
InChIKeyCKOJZYQHPHTDQV-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
CID 123152522
8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
CID 20743981
1-(2,2-dimethylbutyl)-3-ethylcyclopentane
CID 91360585
1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane
CID 91456729
5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
CID 123695523
1,5-diethyl-2,3-dimethylcyclohexane
CID 557905
3-(2,2-dimethylbutyl)-1-methylcyclopropene
CID 123546258
1,2-dimethyl-3-(2-methylprop-2-enyl)cyclobutane
CID 123385938
ethene;1,2,3-trimethyl-4-propylcyclopentane
CID 162276276
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
CID 89112098

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane?
The IUPAC name of 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane (CID 123179974) is 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane?
The canonical SMILES for 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane is CCC(C)(C)CC1CC(C)C1C.
What is the InChIKey of 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane?
The InChIKey is CKOJZYQHPHTDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-12(4,5)8-11-7-9(2)10(11)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane?
1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane is sourced from PubChem (CID 123179974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).