2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane

C13H18 — CID 123646465

IUPAC2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane
SMILESC1CC1C1CC1C1C2C(C3CC3)C12
InChIInChI=1S/C13H18/c1-2-6(1)8-5-9(8)11-12-10(13(11)12)7-3-4-7/h6-13H,1-5H2
InChIKeyKJLHOBIMORYZBQ-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.93
Rot. Bonds3

About 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane

2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane (PubChem CID 123646465) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane
PubChem CID123646465
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane
SMILESC1CC1C1CC1C1C2C(C3CC3)C12
InChIInChI=1S/C13H18/c1-2-6(1)8-5-9(8)11-12-10(13(11)12)7-3-4-7/h6-13H,1-5H2
InChIKeyKJLHOBIMORYZBQ-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,5-tetracyclohexyl-4-[4-(2,3,5,6-tetracyclohexylcyclohexyl)cyclohexyl]cyclohexane
CID 140538333
hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
CID 59892974
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
CID 54326568
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane
CID 163947804
(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
CID 58820692
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane (CID 123646465) is 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane is C1CC1C1CC1C1C2C(C3CC3)C12.
What is the InChIKey of 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane?
The InChIKey is KJLHOBIMORYZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-6(1)8-5-9(8)11-12-10(13(11)12)7-3-4-7/h6-13H,1-5H2.
What are the key properties of 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane?
2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane has a molecular weight of 174.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123646465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).