cyclobutane;ethane;hexane;propane

C21H54 — CID 142383161

IUPACcyclobutane;ethane;hexane;propane
SMILESC1CCC1.CC.CC.CC.CC.CCC.CCCCCC
InChIInChI=1S/C6H14.C4H8.C3H8.4C2H6/c1-3-5-6-4-2;1-2-4-3-1;1-3-2;4*1-2/h3-6H2,1-2H3;1-4H2;3H2,1-2H3;4*1-2H3
InChIKeyKEQWSMLFYQYNBO-UHFFFAOYSA-N
MW306.66 g/mol
LogP9.67
Rot. Bonds3

About cyclobutane;ethane;hexane;propane

cyclobutane;ethane;hexane;propane (PubChem CID 142383161) has the molecular formula C21H54 and a molecular weight of 306.66 g/mol. Its IUPAC name is cyclobutane;ethane;hexane;propane.

Molecular Properties

Compound Namecyclobutane;ethane;hexane;propane
PubChem CID142383161
Molecular FormulaC21H54
Molecular Weight306.66 g/mol
Exact Mass306.42
IUPAC Namecyclobutane;ethane;hexane;propane
SMILESC1CCC1.CC.CC.CC.CC.CCC.CCCCCC
InChIInChI=1S/C6H14.C4H8.C3H8.4C2H6/c1-3-5-6-4-2;1-2-4-3-1;1-3-2;4*1-2/h3-6H2,1-2H3;1-4H2;3H2,1-2H3;4*1-2H3
InChIKeyKEQWSMLFYQYNBO-UHFFFAOYSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.66
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclobutane;ethane;hexane
CID 143857678
cyclopentane;ethane;pentane
CID 143543629
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
alumane;cyclohexane;hexane
CID 175455201
ethane;bis(hexane);propane
CID 173306816
butane;cyclobutane;ethane;propane
CID 144515884
butane;ethane;hexane;propane
CID 167704000
ethane;tris(heptane);propane
CID 158842848
cycloheptane;ethane;propane
CID 142095328
cyclobutane;ethane;propane
CID 142065255
bis(cyclohexane);ethane;propane
CID 91197261

Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;hexane;propane?
The IUPAC name of cyclobutane;ethane;hexane;propane (CID 142383161) is cyclobutane;ethane;hexane;propane.
What is the SMILES notation for cyclobutane;ethane;hexane;propane?
The canonical SMILES for cyclobutane;ethane;hexane;propane is C1CCC1.CC.CC.CC.CC.CCC.CCCCCC.
What is the InChIKey of cyclobutane;ethane;hexane;propane?
The InChIKey is KEQWSMLFYQYNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H8.C3H8.4C2H6/c1-3-5-6-4-2;1-2-4-3-1;1-3-2;4*1-2/h3-6H2,1-2H3;1-4H2;3H2,1-2H3;4*1-2H3.
What are the key properties of cyclobutane;ethane;hexane;propane?
cyclobutane;ethane;hexane;propane has a molecular weight of 306.66 g/mol, XLogP of 9.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;hexane;propane is sourced from PubChem (CID 142383161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).