cyclobutane;ethane;hexane

C12H28 — CID 143857678

IUPACcyclobutane;ethane;hexane
SMILESC1CCC1.CC.CCCCCC
InChIInChI=1S/C6H14.C4H8.C2H6/c1-3-5-6-4-2;1-2-4-3-1;1-2/h3-6H2,1-2H3;1-4H2;1-2H3
InChIKeyUODVBUJCWFQGHM-UHFFFAOYSA-N
MW172.36 g/mol
LogP5.17
Rot. Bonds3

About cyclobutane;ethane;hexane

cyclobutane;ethane;hexane (PubChem CID 143857678) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is cyclobutane;ethane;hexane.

Molecular Properties

Compound Namecyclobutane;ethane;hexane
PubChem CID143857678
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Namecyclobutane;ethane;hexane
SMILESC1CCC1.CC.CCCCCC
InChIInChI=1S/C6H14.C4H8.C2H6/c1-3-5-6-4-2;1-2-4-3-1;1-2/h3-6H2,1-2H3;1-4H2;1-2H3
InChIKeyUODVBUJCWFQGHM-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.36
LogP ≤ 55.17
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;propane
CID 142383161
cyclopropane;icosane
CID 162221728
cyclopentane;ethane;pentane
CID 143543629
cyclopropane;octadecane
CID 174865519
alumane;cyclohexane;hexane
CID 175455201
cobalt;cyclooctane;pentane
CID 57373062
butane;cyclooctane;molecular iodine;nonane
CID 162136863
ethane;octadecane
CID 143981738
ethane;bis(hexane);propane
CID 173306816
butane;cyclopropane;ethane
CID 143412650
1-chloropentane;cyclooctane
CID 174650189
cyclohexane;pentan-1-amine
CID 67995993

Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;hexane?
The IUPAC name of cyclobutane;ethane;hexane (CID 143857678) is cyclobutane;ethane;hexane.
What is the SMILES notation for cyclobutane;ethane;hexane?
The canonical SMILES for cyclobutane;ethane;hexane is C1CCC1.CC.CCCCCC.
What is the InChIKey of cyclobutane;ethane;hexane?
The InChIKey is UODVBUJCWFQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H8.C2H6/c1-3-5-6-4-2;1-2-4-3-1;1-2/h3-6H2,1-2H3;1-4H2;1-2H3.
What are the key properties of cyclobutane;ethane;hexane?
cyclobutane;ethane;hexane has a molecular weight of 172.36 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;hexane is sourced from PubChem (CID 143857678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).