2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane

C13H24 — CID 123429652

IUPAC2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
SMILESCCC1(C(C)C)C2CC21CC(C)C
InChIInChI=1S/C13H24/c1-6-13(10(4)5)11-8-12(11,13)7-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyGXOQGAZSZAGQDX-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds4

About 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane

2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane (PubChem CID 123429652) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
PubChem CID123429652
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
SMILESCCC1(C(C)C)C2CC21CC(C)C
InChIInChI=1S/C13H24/c1-6-13(10(4)5)11-8-12(11,13)7-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyGXOQGAZSZAGQDX-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
Tetraspiro[2.0.2.0.2.0.2.0]dodecane
CID 141105
1,1-Dimethyl-2-hexylcyclopropane
CID 142553
Dispiro(2.0.2.2)octane
CID 140831
1-Butylspiropentane
CID 22566
1'-Methyl-1,1':2',1''-tercyclopropane
CID 519050
1,1'-Bicyclopropyl, 2,2,2',2'-tetramethyl-
CID 563701
Cyclopropylspiropentane
CID 12503095
Quatercyclopropane
CID 46850497
1,1-Dimethyl-2-pentylcyclopropane
CID 522029
1,2-Dimethyl-1-pentylcyclopropane
CID 524630
Hexacyclopropylethane
CID 141327

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane (CID 123429652) is 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane is CCC1(C(C)C)C2CC21CC(C)C.
What is the InChIKey of 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane?
The InChIKey is GXOQGAZSZAGQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-13(10(4)5)11-8-12(11,13)7-9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane?
2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 123429652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).