5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane

C13H24 — CID 123695523

IUPAC5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
SMILESCCC(C)(C)CC1C2(C)CCC12C
InChIInChI=1S/C13H24/c1-6-11(2,3)9-10-12(4)7-8-13(10,12)5/h10H,6-9H2,1-5H3
InChIKeyCZXMTFKWUCZBJE-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds3

About 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane

5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane (PubChem CID 123695523) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
PubChem CID123695523
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
SMILESCCC(C)(C)CC1C2(C)CCC12C
InChIInChI=1S/C13H24/c1-6-11(2,3)9-10-12(4)7-8-13(10,12)5/h10H,6-9H2,1-5H3
InChIKeyCZXMTFKWUCZBJE-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

2,3-bis(2,2-dimethylbutyl)-2-methyloxirane
CID 90226520
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
CID 89112098
2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
CID 123152522
2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol
CID 90739279
N-(2,2-dimethylbutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103460678
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
1-(2,2-dimethylbutyl)-3-ethylcyclopentane
CID 91360585
1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane
CID 123179974
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane?
The IUPAC name of 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane (CID 123695523) is 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane?
The canonical SMILES for 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane is CCC(C)(C)CC1C2(C)CCC12C.
What is the InChIKey of 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane?
The InChIKey is CZXMTFKWUCZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-11(2,3)9-10-12(4)7-8-13(10,12)5/h10H,6-9H2,1-5H3.
What are the key properties of 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane?
5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane has a molecular weight of 180.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123695523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).