butane;cyclobutane

C24H50 — CID 162002820

IUPACbutane;cyclobutane
SMILESC1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CCCC
InChIInChI=1S/5C4H8.C4H10/c5*1-2-4-3-1;1-3-4-2/h5*1-4H2;3-4H2,1-2H3
InChIKeyYSLBCNPDUICIPC-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.61
Rot. Bonds1

About butane;cyclobutane

butane;cyclobutane (PubChem CID 162002820) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is butane;cyclobutane.

Molecular Properties

Compound Namebutane;cyclobutane
PubChem CID162002820
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Namebutane;cyclobutane
SMILESC1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CCCC
InChIInChI=1S/5C4H8.C4H10/c5*1-2-4-3-1;1-3-4-2/h5*1-4H2;3-4H2,1-2H3
InChIKeyYSLBCNPDUICIPC-UHFFFAOYSA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;cyclopropane;ethane
CID 143412650
butane;cyclobutane;ethane;propane
CID 144515884
butane;cyclopentane;cyclopropane;2-methylpropane;propane
CID 173325576
butane;cyclooctane;molecular iodine;nonane
CID 162136863
tris(cyclohexane);ethane;propane
CID 161084167
cyclobutane;ethane;propane
CID 142065255
cyclopropane;methane;propane
CID 162181556
bis(cyclohexane);ethane;propane
CID 91197261
bis(cyclohexane);ethane;propane
CID 160925836
cycloheptane;ethane;propane
CID 142095328
cyclopentane;ethane;pentane
CID 143543629
cyclopropane;octadecane
CID 174865519

Frequently Asked Questions

What is the IUPAC name of butane;cyclobutane?
The IUPAC name of butane;cyclobutane (CID 162002820) is butane;cyclobutane.
What is the SMILES notation for butane;cyclobutane?
The canonical SMILES for butane;cyclobutane is C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CCCC.
What is the InChIKey of butane;cyclobutane?
The InChIKey is YSLBCNPDUICIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H8.C4H10/c5*1-2-4-3-1;1-3-4-2/h5*1-4H2;3-4H2,1-2H3.
What are the key properties of butane;cyclobutane?
butane;cyclobutane has a molecular weight of 338.66 g/mol, XLogP of 9.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cyclobutane is sourced from PubChem (CID 162002820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).