butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane

C20H52 — CID 157129502

IUPACbutane;methane;tetracyclo[2.1.0.01,3.02,5]pentane
SMILESC.C.C.C.C.C.C.C12C3C4C1C234.CCCC.CCCC
InChIInChI=1S/C5H4.2C4H10.7CH4/c1-2-4-3(1)5(1,2)4;2*1-3-4-2;;;;;;;/h1-4H;2*3-4H2,1-2H3;7*1H4
InChIKeyAIWXUQJDIIUWRE-UHFFFAOYSA-N
MW292.64 g/mol
LogP8.56
Rot. Bonds2

About butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane

butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane (PubChem CID 157129502) has the molecular formula C20H52 and a molecular weight of 292.64 g/mol. Its IUPAC name is butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane.

Molecular Properties

Compound Namebutane;methane;tetracyclo[2.1.0.01,3.02,5]pentane
PubChem CID157129502
Molecular FormulaC20H52
Molecular Weight292.64 g/mol
Exact Mass292.41
IUPAC Namebutane;methane;tetracyclo[2.1.0.01,3.02,5]pentane
SMILESC.C.C.C.C.C.C.C12C3C4C1C234.CCCC.CCCC
InChIInChI=1S/C5H4.2C4H10.7CH4/c1-2-4-3(1)5(1,2)4;2*1-3-4-2;;;;;;;/h1-4H;2*3-4H2,1-2H3;7*1H4
InChIKeyAIWXUQJDIIUWRE-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.64
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;methane
CID 161323740
butane;methane
CID 169432073
butane;methane
CID 158764755
butane;methane
CID 158881067
butane;methane;tricyclo[1.1.0.02,4]butane
CID 161341800
butane;ethane;methane
CID 162200509
butane;deuterium monohydride;methane
CID 157488506
butane;methane;molecular iodine
CID 158060894
butane;dihydroiodide
CID 173299742
butane;octahydrofluoride
CID 173254735
azane;butane
CID 18518846
butane;dihydrochloride
CID 175321374

Frequently Asked Questions

What is the IUPAC name of butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane?
The IUPAC name of butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane (CID 157129502) is butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane.
What is the SMILES notation for butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane?
The canonical SMILES for butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane is C.C.C.C.C.C.C.C12C3C4C1C234.CCCC.CCCC.
What is the InChIKey of butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane?
The InChIKey is AIWXUQJDIIUWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4.2C4H10.7CH4/c1-2-4-3(1)5(1,2)4;2*1-3-4-2;;;;;;;/h1-4H;2*3-4H2,1-2H3;7*1H4.
What are the key properties of butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane?
butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane has a molecular weight of 292.64 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane is sourced from PubChem (CID 157129502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).